国際学会

Kuribayashi, N., Hirano, Y., Yasuoka, K., de Groot, B. L. and Wilson, C. J., Hierarchical Self-Assembly of AQP4 by Coarse-Grained MD, From Molecules to Cells: Multiscale Simulation and AI-Driven Modeling for Biomolecular Systems (MSAM), Kobe, Japan, 28-30 May 2026 (Presentation: 29 May 2026).

Asano, S., Yasuda, I., Endo, K., Hirano, Y. and Yasuoka, K., An Unsupervised Deep Learning Method to Identify Characteristic Amino Acid Residues by Comparing Similar Molecular Dynamics Systems, The International Chemical Congress of Pacific Basin Societies 2025, Honolulu, USA, 15-20 December 2025 (Presentation: 19 December 2025).

Takahashi, S., Kuribayashi, N., Brumby, P. E., Winarto and Yasuoka, K., Analysis of Carbon Dioxide Separation Ability of Perforated Graphene Sheets, The 4th International Conference on Mechanical Engineering Research and Application, Malang, Indonesia, 01-03 October 2025 (Presentation: 01 October 2025).

Kobayashi, R., Yasuda, I., Hirano, Y. and Yasuoka, K., Elucidation of the K516N Mutation in APC Protein on SAM68 Binding Affinity Using Molecular Dynamics Simulation, Biophysical Society Annual Meeting 2025, Los Angeles, USA, 15-19 February 2025 (Presentation: 18 February 2025).

Kojima, T., Yasuda, I., Sato, T., Arai, N. and Yasuoka, K., Enhanced premelting at ice–rubber interface using molecular dynamics simulation, The International Chemical Congress of Pacific Basin Societies 2025, Honolulu, USA, 15-20 December 2025 (Presentation: 16 December 2025).

Yano, K., Yasuda, I., Hirano, Y. and Yasuoka, K., Investigation of Allosteric Inhibition Mechanism of PTP1B Using Molecular Dynamics Simulation, Biophysical Society Annual Meeting 2025, Los Angeles, USA, 15-19 February 2025 (Presentation: 18 February 2025).

Shobu, K., Hirano, Y. and Yasuoka, K., Investigation of the Early Activation Stage of CHR2 Using Molecular Dynamics Simulations, Biophysical Society Annual Meeting 2025, Los Angeles, USA, 15-19 February 2025 (Presentation: 17 February 2025).

Yasuoka, K., Molecular Simulations of Water Interface, The 4th International Conference on Mechanical Engineering Research and Application, Malang, Indonesia, 01-03 October 2025 (Presentation: 01 October 2025).

Sakaki, K., Endo, K. and Yasuoka, K., New Developments in Machine Learning Models for Predicting Molecular Diffusive Dynamics, The 4th International Conference on Mechanical Engineering Research and Application, Malang, Indonesia, 01-03 October 2025 (Presentation: 01 October 2025).

Yasuda, I., Bülow, S., Tesei, G., Yamamoto, E., Yasuoka, K. and Lindorff-Larsen, K., Reentrant Phase Behavior and Selective Partitioning in Protein-RNA Condensates Using Molecular Dynamics Simulation, Biophysical Society Annual Meeting 2025, Los Angeles, USA, 15-19 February 2025 (Presentation: 18 February 2025).

Yasuda, I., Yamamoto, E., Yasuoka, K. and Lindorff-Larsen, K., Secondary-structure-dependent partitioning of RNA into biomolecular condensate using coarse-grained molecular dynamics simulation, The International Chemical Congress of Pacific Basin Societies 2025, Honolulu, USA, 15-20 December 2025 (Presentation: 19 December 2025).

Kishimoto, H., Brumby, P. E. and Yasuoka, K., Analyzing Cage Occupancy Rates in Structure II Clathrate Hydrates Using Gibbs Ensemble Monte Carlo Simulations, 18th International Conference on the Properties of Water and Steam, Boulder, USA, 23-28 June 2024 (Presentation: 27 June 2024).

Sakaki, K., Endo, K. and Yasuoka, K., Enhanced MD-GAN for Stable Prediction of Molecular Dynamics Simulation Data, 18th International Conference on the Properties of Water and Steam, Boulder, USA, 23-28 June 2024 (Presentation: 25 June 2024).

Ishiai, S., Endo, K., Brumby, P. E., Sum, A. K. and Yasuoka, K., Graph Neural Network Based Parameter Design Method for Liquid, Ice, and Clathrate Hydrate Phase Analysis, 18th International Conference on the Properties of Water and Steam, Boulder, USA, 23-28 June 2024 (Presentation: 27 June 2024).

Yasuda, I., Endo, K., Arai, N. and Yasuoka, K., Heterogeneous Molecular Dynamics in Quasi-liquid Layers of Ice Surface Using Molecular Dynamics Simulation, 18th International Conference on the Properties of Water and Steam, Boulder, USA, 23-28 June 2024 (Presentation: 27 June 2024).

Kuribayashi, N., Yamamoto, E., Hirano, Y. and Yasuoka, K., Molecular dynamics study on the permeation directionality of water molecules through AQP4, 68th Biophysical Society Annual Meeting, Philadelphia, USA, 10-14 February 2024 (Presentation: 11 February 2024).

Shobu, K., Hirano, Y. and Yasuoka, K., Analysis of initial changes in the pore permeable to cations in channelrhodopsin-2, The 6th International Conference on Molecular Simulation, Taipei, Taiwan, 06-09 October 2023 (Presentation: 07 October 2023).

Yasuda, I., Kawada, R., Yamazaki, H. and Yasuoka, K., Analysis of lithium-ion diffusion for all-solid-state battery using unsupervised machine learning of molecular dynamics simulation, 34th IUPAP Conference on Computational Physics, Kobe, Japan, 04-08 August 2023 (Presentation: 05 August 2023).

Ishiai, S., Endo, K., Brumby, P. E. and Yasuoka, K., Application of a graph neural network in structure classification for water, ice, and clathrate hydrates, 10th International Conference on Gas Hydrates, Singapore, Singapore, 09-14 July 2023 (Presentation: 14 July 2023).

Kishimoto, H., Brumby, P. E. and Yasuoka, K., Cage occupancy analysis in sll clathrate hydrates from isothermal-isobaric Gibbs ensemble Monte Carlo simulations, 34th IUPAP Conference on Computational Physics, Kobe, Japan, 04-08 August 2023 (Presentation: 05 August 2023).

Ishiai, S., Endo, K. and Yasuoka, K., Graph Neural Networks Classify Molecular Geometry and Design Novel Order Parameters of Ice and Water, 15th International Conference on the Physics and Chemistry of Ice, Sapporo, Japan, 03-08 September 2023 (Presentation: 07 September 2023).

Sato, T., Yasuda, I., Kobayashi, Y., Arai, N. and Yasuoka, K., Molecular Simulation of the Behavior of the Premelt Layer at the Ice-rubber Interface, 9th International Tribology Conference, Fukuoka, Japan, 25-30 September 2023 (Presentation: 29 September 2023).

Ishiai, S., Endo, K. and Yasuoka, K., Self-supervised learning method for molecular dynamics simulations using graph neural network to obtain molecular geometry features, 34th IUPAP Conference on Computational Physics, Kobe, Japan, 04-08 August 2023 (Presentation: 05 August 2023).

Yasuda, I., Arai, N. and Yasuoka, K., Surface Premelting of Ice Ic using Molecular Dynamics Simulation, 15th International Conference on the Physics and Chemistry of Ice, Sapporo, Japan, 03-08 September 2023 (Presentation: 08 September 2023).

Yasuda, I., Arai, N. and Yasuoka, K., Temperature-dependent Molecular Dynamics of Ice Premelting at Different Faces of Hexagonal Ice Crystal, 9th International Tribology Conference, Fukuoka, Japan, 25-30 September 2023 (Presentation: 28 September 2023).

Miwa, G., Yamamoto, E., Ishiyamao, T. and Yasuoka K., Analysis of vibration spectra of HDO in nanoslit system using a molecular dynamics simulation, Foundations of Molecular Modeling and Simulation 2022, Delcvan, USA, 17-21 July 2022 (Presentation: 20 July 2022).

Brumby, P.E., Ishiai, S., Sum, A. K. and Yasuoka, K., Gibbs ensemble Monte Carlo simulations of carbon dioxide hydrate with pahse stability and machine learning strcture identification, Foundations of Molecular Modeling and Simulation 2022, Delcvan, USA, 17-21 July 2022 (Presentation: 20 July 2022).

Ishiai, S., Endo, K., Brumby, P. E. & Yasuoka K., New Approach for Classification of Water, Ice, and Clathrate Hydrate structure by Graph Neural Networks, The 13th Asian Thermophysical Properties Conference, Sendai, Japan (Online), 26-30 September 2022 (Presentation: 29 September 2022).

Yasuda, I., Endo, K., Yamamoto, E., Hirano Y. and Yasuoka, K., Prediction of protein–ligand binding affinity using machine-learning protein features of structure and dynamics, Foundations of Molecular Modeling and Simulation 2022, Delcvan, USA, 17-21 July 2022 (Presentation: 20 July 2022).

Ishiyama, M., Asai, M. and Yasuoka, K., A Study of Polymorphism in Polymer-Grafted-Nanoparticles using Molecular Dynamics simulation, 11th Liquid Matter Conference, Prague(Online), Czech Republic, 19-23 July 2021 (Presentation: 19 July 2021).

Brumby, P. E., Nozawa, T., Kowaguchi, A., Haslam, A., Jackson, G., Schoen, M. and Yasuoka, K., Calculation of the Frank Elastic Constants for Liquid-Crystal Fluids From Test Perturbations of the Director Field, 11th Liquid Matter Conference, Prague(Online), Czech Republic, 19-23 July 2021 (Presentation: 19 July 2021).

Yasuda, I., Endo, K., Arai, N. and Yasuoka, K., Dection of liquid-like water molecules in premelting surfaces, Materials Research Meeting 2021, Yokohama, JAPAN, 13-16 December 2021 (Presentation: 14 December 2021).

Kowaguchi, A., Brumby, P. E. and Yasuoka, K., Examination of the phase transitions for a simple model liquid crystal using replica exchange monte carlo simulation, 11th Liquid Matter Conference, Prague(Online), Czech Republic, 19-23 July 2021 (Presentation: 19 July 2021).

Suzuki, Y., A study on the encoding function for the binary classification problem via quantum support vector machine, Young Researchers Forum on Quantum Information Science, Hsinchu, Taiwan, 14-16 August 2019 (Presentation: 01 January 2019).

Miura, T., Ab initio Molecular Dynamics Simulation of Water in a Carbon Nanotube, The 5th International Conference on Molecular Simulation, Jeju, Koria, 03-06 November 2019 (Presentation: 04 November 2019).

Brumby, P. E., Hasegawa, T., Clathrate Hydrates Fundamentals: Bridging Molecular Structures to Microscopic Properties and Behavior, The International Conference on Gas Hydrates, Telluride, Colorado, 25-29 June 2019 (Presentation: 25 June 2019).

Endo, K., Yuhara, D., Yasuoka, K., Efficient Monte Carlo Molecular Simulation with Inverse Square Flow, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 15 December 2019).

Endo, K., Yuhara, D. and Yasuoka K, Efficient Monte Carlo Molecular Simulation with Inverse Square Flow, The 2nd Pacific Rim Thermal Engineering Conference, Hawai, USA, 13-17 December 2019 (Presentation: 00 0000).

Yuhara, D., Endo, K., Yasuoka, K., Efficient Time Evolution Method for Molecular Dynamics using Machine Learning Approach, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 14 December 2019).

Hasegawa, T., Molecular Dynamics Simulations of The Hydrogen Molecules Diffusion Into Sf6 Hydrate, 15th International Conference on Properties and Phase Equilibria for Products and Process Design, Vancouver, BC, 12-16 May 2019 (Presentation: 12 May 2019).

Okada, K., Brumby, P., Yasuoka, K., Proposal for New Random Number Generation Method for Dissipative Particle Dynamics, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 16 December 2019).

Hirakawa, K., Yasuoka, K., Replica Exchange Molecular Simulation of Trilayer Ice Structure in Silt Nanopore, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 16 December 2019).

Ogino, K., Role of C Terminal Tail Region for Structural Stability of HMGB1: a Molecular Dynamics Simulation Approach, The 5th International Conference on Molecular Simulation, Jeju, Koria, 03-06 November 2019 (Presentation: 04 November 2019).

Brumby, P. E., Nozawa, T., Yasuoka, K., The Frank Twist Elastic Constant of Liquid Crystals from Orientational Perturbations, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 15 December 2019).

Nakamura, S., Tomobe, K., Yamamoto, E., Yasuoka, K., Vibrational Spectra Analysis of HOD Molecules in Alpha-D-Glucose Solution; a Molecular Dynamics Simulation Study, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 15 December 2019).

Ono, Y., Yamamoto, E., Yasuoka, K., Water-Ethanol Separation with Tip Charged Carbon Nanotubes, The 2nd Pacific Rim Thermal Engineering Conference, Hawaii, USA, 13-17 December 2019 (Presentation: 17 December 2019).

Morita, K., Shibuya, T., and Yasuoka, K., Density functional theory study of excess electrons in reduced rutile tio2 surfaces, 4th International Conference on Computational Design in Engineering (CODE2018), Changwon, Korea, 01-05 April 2018 (Presentation: 04 April 2018).

Endo, K., Tomobe, K., Yasuoka, K., Multi-Step Time Series Generator for Molecular Dynamics, Thirty-Seond AAAI Conference on Artificial Intelligence, New Orleans, USA, 04-09 February 2018 (Presentation: 05 February 2018).

T. Nozawa, P. Brumby, and K. Yasuoka, A study on frustrated chiral liquid-crystal phases with large pitch distances by molecular simulations, Thermodynamics 2017, Edinburgh, UK, 05-08 September 2017 (Presentation: 06 September 2017).

D. Yuhara, P. Brumby, David T. W., Amadeu K. S., K. Yasuoka., Analysis of Three Phase Co-Existence Conditions for Methane Hydrate, Methane Vapor, and Liquid Water System using Isothermal-Isometric Molecular Dynamics Simulation, The 9th International Conference on Gas Hydrates, Denver, USA, 25-30 July 2017 (Presentation: 26 July 2017).

Morita, K., Shibuya, T., and Yasuoka, K., Behavior of excess electrons introduced by Ti interstitial in rutile TiO2(110) surface, The 6th International Symposium on Micro and Nano Technology (ISMNT-6), Fukuoka, Japan, 19-22 March 2017 (Presentation: 20 March 2017).

Irie, M., Morita, K., and Yasuoka, K., Development of a force field of TiO2-water interactions for classical molecular simulation by density functional theory, The 6th International Symposium on Micro and Nano Technology (ISMNT-6), Fukuoka, Japan, 19-22 March 2017 (Presentation: 20 March 2017).

D. Yuhara, P. Brumby, David T. W., Amadeu K. S., K. Yasuoka., Isometric-Isothermal Molecular Dynamics Simulation of Methane Hydrate/Water/Methane Coexistence System, Clathrate Hydrates Fundamentals Workshop, Telluride, USA, 20-24 July 2017 (Presentation: 24 July 2017).

P. Brumby, D. Yuhara, David T. W., Amadeu K. S., K. Yasuoka., Isothermal-isobaric Gibbs ensemble Monte Carlo simulations of various clathrate hydrates, Clathrate Hydrates Fundamentals Workshop, Telluride, USA, 20-24 July 2017 (Presentation: 24 July 2017).

Ayuba, S., Nomura, K., Suh, D. and Yasuoka, K., Kinetic analysis of homogeneous droplet nucleation using large scale molecular dynamics simulation, The 20th International Chemical on Nucleation and Atmospheric Aerosols, Helsinki, Finland, 25-30 July 2017 (Presentation: 27 July 2017).

K. Tomobe, E. Yamamoto, K. Kholmurodov and K. Yasuoka, Molecular dynamics simulation of Rhodopsin and Opsin: Water transport through internal water pathways, MSSMBS 2017, St. Petersburg, Russia, 07-09 September 2017 (Presentation: 07 September 2017).

T. Nozawa, P. Brumby, and K. Yasuoka, Monte Carlo studies on the phase behaivior of model chiral liquid-crystals using the hybrid achoring approach, 10th Liquid Matter Conference, Ljubljana, Slovenia, 17-21 July 2017 (Presentation: 17 July 2017).

Yamamitsu, R., Nomura, K., and Yasuoka, K., Replica exchange molecular dynamics simulations of quasi-two-dimensional water in nanopore slits, The 6th International Symposium on Micro and Nano Technology (ISMNT-6), Fukuoka, Japan, 19-22 March 2017 (Presentation: 20 March 2017).

T. Nozawa, P. Brumby, and K. Yasuoka, Replica Exchange Monte Carlo Simulations of Frustrated Chiral Liquid-Crystal Phases, The Ninth JSME-KSME Thermal and Fluids Engineering Conference (TFEC9), Okinawa, Japan, 27-30 October 2017 (Presentation: 28 October 2017).

P. Brumby, D. Yuhara, David T. W., Amadeu K. S., K. Yasuoka., Simulations of Gas Hydrates by the Gibbs Ensemble Monte Carlo Method with Partial Phase Separation, The 9th International Conference on Gas Hydrates, Denver, USA, 25-30 July 2017 (Presentation: 29 March 2017).

P. E. Brumby, T. Nozawa, M. Schoen, A. Haslam, G. Jackson, K. Yasuoka, The Frank twist elastic constant of an achiral liquid-crystal fluid from orientational perturbations, 25th Thermodynamics Conference, Edinburgh, UK, 05-08 September 2017 (Presentation: 05 September 2017).

Suh, D., and Yasuoka, K., Understanding heterogeneous nucleation on various precursor configurations by molecular dynamics, The 6th International Symposium on Micro and Nano Technology (ISMNT-6), Fukuoka, Japan, 19-22 March 2017 (Presentation: 21 March 2017).

Takahashi, K. Z., Nishimura, R., Yasuoka, K., and Masubuchi, Y., A linkage of static and dynamic polymer properties between atomistic and bead-spring model, 6th EuCheMS Chemistry Congress, Seville, Spain, 11-15 September 2016 (Presentation: 14 September 2016).

Akimoto, T., Yamamoto, E., Kalli, A. C., Yasuoka, K., and Sansom M. S. P., A method to detect large fluctuations of diffusivity using single-particle trajectories, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Nozawa, T., Brumby, P. E., Haslam, A. J., Jackson, G., and Yasuoka, K., A theoretical research on developing SAFT for ordered fluids, Modeling Liquid Crystals and Complex Fluids, Imperial College London, UK, 07-07 July 2016 (Presentation: 07 July 2016).

Hiratsuka, M., Ohmura, R., and Yasuoka, K., Ab initio molecular dynamics simulation for the tert-n-butylammonium bromide semiclathrate hydrate, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Suh, D. and Yasuoka, K., Adsorption Analysis on Solid Particle by Molecular Dynamics, 12th International Conference on Fundamentals of Adsorption, Friedrichshafen, Germany, 29-03 May 2016 (Presentation: 31 May 2016).

Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Advantages of the Gibbs ensemble Monte Carlo method for the simulation of clathrate hydrates at equilibrium, Global Environmental System Leaders (GESL) Workshop 2016 on Molecular Simulation, Yokohama, Japan, 01-01 March 2016 (Presentation: 01 March 2016).

Suh, D. and Yasuoka, K., Aspect Ratio Effect of Nanorod Condensation by Molecular Dynamics, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 14 March 2016).

Brumby, P. E., Wensink, H. H., Haslam, A. J. and Yasuoka, K., Calculation of the pressure and interfacial tension of confined hard-spherocylinders fluids by volume perturbations, Colloquium of the International Graduate Research Training Group 1524 - SSNI - Self-Assembled Soft-Matter Nanostructures at Interfaces(IRTG 1524 Colloquium 2016), Technical University Berlin, Germany, 13-13 September 2016 (Presentation: 13 September 2016).

Hiratsuka, M., Ohmura, R., Sum, A. K., Alavi, S. and Yasuoka, K., Car-Parrinello Molecular Dynamics Study of Guest-Host Interaction in Ammonia Clathrate Hdyrate, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 16 March 2016).

Nozawa, T., Brumby, P., and Yasuoka, K., Coarse-grained simulations to investigate the phase behavior of chiral liquid crystals, Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28 September 2016 (Presentation: 26 September 2016).

Imai, N., Suh, D., Takaiwa, D., and Yasuoka, K., Designing of Ice Crystal Nucleation Promoting Surface Using Molecular Dynamics, The 18th International Conference on Crystal Growth and Epitaxy(ICCGE-18), Nagoya, Japan, 07-12 August 2016 (Presentation: 09 August 2016).

Doi, H., Okuwaki, K., Mochizuki, Y., Ozawa, T., and Yasuoka, K., Dissipative Particle Dynamics Simulations for Lipid Membrane using Fragment molecular orbital-based Effective Parameters, The 11th SPSJ International Polymer Conference(IPC2016), Fukuoka, Japan, 13-13 December 2016 (Presentation: 14 December 2016).

Tomobe, K., Iijima, T., Yamamoto, E., Kojic, R. Tsenkova, D., Yasui, M., and Yasuoka, K., Dynamics of monosaccharide and water molecule in aqueous solution: Dependence on temperature and concentration, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Nozawa, T., Brumby, P., and Yasuoka, K., Effect of anisotropic interactions on the phase behavior of chiral Gay-Berne systems, The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06 October 2016 (Presentation: 05 October 2016).

Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. and Yasuoka, K., Equilibrium Molecular Dynamics Simulation of Three-Phase Coexistence System for Methane Hydrate, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Brumby, P. E., Yuhara, D., Wu, D. T., Sum A. K. and Yasuoka, K., Equilibrium Properties of Methane Hydrate by Gibbs Ensemble Monte Carlo Simulations, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016.

Okuwaki, K., Doi, H., Mochizuki, Y., Ozawa, T., and Yasuoka, K., Fragment Molecular Orbital-based Parameterizing Procedure for Dissipative Partcile Dynamics Simulations, The 11th SPSJ International Polymer Conference(IPC2016), Fukuoka, Japan, 13-13 December 2016 (Presentation: 14 December 2016).

Brumby, P., Yuhara, D. Wu, D. T., Sum, A. K. and Yasuoka, K., Gibbs Ensemble Monte Carlo simulations of ethane-methane hydrate, The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06 October 2016 (Presentation: 05 October 2016).

Suh, D. and Yasuoka, K., Heterogeneous Crystal Growth on Seed Particle by Molecular Dynamics, The 18th International Conference on Crystal Growth and Epitaxy(ICCGE-18), Nagoya, Japan, 07-12 August 2016 (Presentation: 08 August 2016).

Suh, D. and Yasuoka, K., Heterogeneous nucleation of droplets, bubbles, and crystals by molecular dynamics, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 25 October 2016).

Nozawa, T., Brumby, P. E., and Yasuoka, K., Investigating the phase behavior of chiral liquid-crystal systems via Monte Carlo simulations, Colloquium of the International Graduate Research Training Group 1524 - SSNI - Self-Assembled Soft-Matter Nanostructures at Interfaces(IRTG 1524 Colloquium 2016), Technical University Berlin, Germany, 13-13 September 2016 (Presentation: 13 September 2016).

Koishi, T., Yasuoka, K., and Zeng, X. C., Molecular dynamics simulation of a bouncing droplets on a solid surface, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation of Atmospheric Aerosol Growth from Water Vapor, 23rd Pacific Science Congress, Taipei, Taiwan, 13-17 June 2016 (Presentation: 16 June 2016).

Suh, D. and Yasuoka, K., Molecular dynamics simulation of bubble formation from different colloid geometries, 6th International Colloids Conference, Berlin, Germany, 19-22 June 2016 (Presentation: 21 June 2016).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation of Droplet, Bubble, and Crystal Nucleation, The Fourth International Forum on Heat Transfer (IFHT2016), Sendai, Japan, 02-04 November 2016 (Presentation: 04 November 2016).

Takaiwa, D., Imai, N., Suh, D., and Yasuoka, K., Molecular dynamics simulation of heterogeneous ice nucleation on silver iodide surface, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 14 March 2016).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation of Heterogeneous Nucleation of Aerosols from Water Vapor, Goldschmidt 2016, Yokohama, Japan, 26-01 June 2016 (Presentation: 29 June 2016).

Tomobe, K., Yamamoto, E., Kholmurodov. K., and Yasuoka, K., Molecular dynamics simulation of Rhodopsin and Opsin: transport through internal water pathways, Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28 September 2016 (Presentation: 26 September 2016).

Inoue, K., Yamamoto, E., Takaiwa, D., Yasuoka, K. and Mikami, M., Molecular dynamics study of ganglioside GM3/DPPC membrane by using coarse-grained model, Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02 February 2016 (Presentation: 29 February 2016).

Brumby, P. E., Wensink, H. H., Nozawa, T., Haslam, A. J., and Yasuoka, K., Monte Carlo simulations of chirality in liquid-crystalline fluids with large pitch distances, Modeling Liquid Crystals and Complex Fluids, Imperial College London, UK, 07-07 July 2016 (Presentation: 07 July 2016).

Nomura, K., Bai, J., Yasuoka, K., and Zeng, X. C., Multdimensional replica-exchange molecular dynamics simulation of freezing behavior in quasi-one-dimensional confined water, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Nomoto, Y., Sano, R., Hiratsuka, M., Takaiwa, D., Fujita, Y., Kondo, Y. and Yasuoka, K., Non-Equilibrium Molecular Dynamics Simulation of Evaporation Process for Diatomic Molecule, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 14 March 2016).

Yuhara, D., Brumby, P. E., Wu, D. T., Sum A. K. and Yasuoka, K., Prediction of the three-phase coexistence points for methane hydrate by NVT molecular dynamics simulation, Global Environmental System Leaders (GESL) Workshop 2016 on Molecular Simulation, Yokohama, Japan, 01-01 March 2016 (Presentation: 01 March 2016).

Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. and Yasuoka, K., Prediction of Three Phase Equilibrium Points of Methane Hydrate by NVT Molecular Dynamics Simulation, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 14 March 2016).

Kobayashi, Y., Nomura, K., Yasuoka, K., and Arai, N., Replica exchange dissipative particle dynamics method on theadlike miceller aqueous solutions, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 24 October 2016).

Arai, N., Yasuoka, K., and Zeng, X. C., Self-assembly and layer transition of onion-like vesicles from minimal molecules, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 26 October 2016).

Brumby, P., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., The stability of binary ethane-methane clathrate hydrate for various gas phase compositions by isobaric-isothermal Gibbs Ensemble Monte Carlo, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 25 October 2016).

Suh, D. and Yasuoka, K., Thermal Fluctuation Analysis of Heterogeneous Bubble Nucleation by Molecular Dynamics, The 11th Asian Thermophysical Properties Conference(ATPC 2016), Yokohama, Japan, 02-06 October 2016 (Presentation: 04 October 2016).

Suh, D., Nakamura, M., and Yasuoka, K., Understanding homogeneous nucleation by molecular dynamics, The 4th International Conference on Molecular Simulation(ICMS 2016), Shanghai, China, 23-26 October 2016 (Presentation: 26 October 2016).

Nakamura, S., Tomobe, K., Yamamoto, E., Ishiyama, T., and Yasuoka, K., Vibrational spectra analysis of alpha-D-glucose solution in infrared region using anharmonic potential, Aquaphotomics: Understanding Water in Biology 2nd International Symposium, Kobe, Japan, 26-28 November 2016 (Presentation: 27 November 2016).

Nakamura, S., Tomobe, K., Yamamoto, E. Ishiyama, T, and Yasuoka, K., Vibrational spectra analysis of water molecules in infrared region using anharmonic potential, Khujand Symposium on Computational Materials and Biological Sciences(KSCMBS), Khujand, Tajikistan, 24-28 September 2016 (Presentation: 26 September 2016).

Tomobe, K., Iijima, T., Yamamoto, E., Kojic, D., Tsenkova, R., Yasui, M., and Yasuoka, K., Vibrational spectra of water molecules in monosaccharide solutions by Car-Parinello molecular dynamics simulation, Aquaphotomics: Understanding Water in Biology 2nd International Symposium, Kobe, Japan, 26-28 November 2016 (Presentation: 27 November 2016).

Tomobe, K., Iijima, T., Yamamoto, E., Yasui, M. and Yasuoka, K., Vibrations of water molecules in monosaccharide hydration shell by DFT-MD studies, Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02 February 2016 (Presentation: 02 March 2016).

Yamamoto, E., Akimoto, T., Yasui, M. and Yasuoka, K., Water dynamics and ion interaction at channel entrance of aquaporin 1, Biophysical Society Annual Meeting 60th, Los Angeles, USA, 27-02 February 2016 (Presentation: 28 February 2016).

Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., Water Transport into Protein Inside in Active Rhodopsin: a Molecular Dynamics Study, Proceeding of the First Pacific Rim Thermal Engineering Conference(PRTEC), Big Island, USA, 13-17 March 2016 (Presentation: 14 March 2016).

Takaiwa, D., Sakamaki, R., Sum, A., K., Narumi, T. and Yasuoka, K., A study of the influence of the ice-face exposed to liquid water phase on the melting point of hexagonal ice by means of direct coexistence simulation of rigid water models, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Suh, D. and Yasuoka, K., Aerosol Formation of Water on Solid Seeds by Molecular Dynamics, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 17 December 2015).

Suh, D. and Yasuoka, K., Aerosol Growth MEchanisc Study for Elongated Particles by Molecular Dynamics, European Aerosol Conference, Milan, Italy, 06-11 September 2015 (Presentation: 09 September 2015).

Yuhara, D., Barnes, B. C., Suh, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Analysis of nucleation and phaxse equilibrium of methane hydrate by molecular dynamics simulation, Telluride Workshop "Clathrate Hydrates Fundamentals: Bridging Molecular Structures to Microscopic Properties and Behavior”, Telluride, USA, 06-10 July 2015 (Presentation: 09 July 2015).

Nakamura, M., Suh, D. and Yasuoka, K., Analysis on System Size Dependency of Homogeneous Bubble Nucleation by Molecular Dynamics Simulation, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 01 September 2015).

Yamamoto, E., Kalli, A. C., Akimoto, T., Yasuoka, K. and Sansom, M. S. P., Anomalous Dynamics of Pleckstrin Homology Domains on Lipid Membrane Surfaces, Biophysical Society 59th Annual Meeting, Baltimore, Maryland, USA, 07-11 February 2015 (Presentation: 09 February 2015).

Suh, D. and Yasuoka, K., Atmospheric Aerosol Growth Study by Molecular Dynamics, International Conference on Environment, Penang, Malaysia, 18-19 August 2015 (Presentation: 18 August 2015).

Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Cage occupancies in sI methane hydrates by Gibbs ensemble Monte Carlo simulation, Coarse graining:force fields and simulation, London, UK, 10-10 September 2015 (Presentation: 10 September 2015).

Hiratsuka, M., Ohmura, R., Sum, A., K., Alavi, S. and Yasuoka, K., Car-Parrinello molecular dynamics study of guest-host interactions in fluoromethane clathrate hydrates, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Brumby, P. E., Yuhara, D. and Yasuoka, K., Constant pressure Gibbs ensemble Monte Carlo simulations of methane hydrate cage occupancy, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Shibuya, T., Morita, K., Yasuoka, K., Mirbt, S. and Sanyal, B., DFT Study of Ti Interstitial in Rutile TiO2 (110) Surface, 2nd International Symposium on Frontiers in Materials Science, Tokyo, Japan, 19-21 November 2015 (Presentation: 20 November 2015).

Nozawa, T., Brumby, P. E. and Yasuoka, K., Effect of dipolar interactions on chiral liquid-crystal systems, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 20 December 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Effect of electric field on water molecules confined in carbon nanotubes, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 18 December 2015).

Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Evaluation of Analysis Methods of Methane Hydrate Nucleation by Molecular Dynamics Simulations, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 01 September 2015).

Nishimura, R., Takahashi, K., Z., Yasuoka, K. and Masubuchi, Y., Evaluation of Viscoelastic Properties of Polyethylene Melt by Molecular Dynamics and Comparison with Coarse-Grained Molecular Dynamics, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 16 December 2015).

Nishimura, R., Takahashi, K., Z., Yasuoka, K. and Masubuchi, Y., Evaluation of Viscoelastic Properties of Polyethylene Melt by Molecular Dynamics Simulation, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Doi, H., Nomura, K., Narumi, T. and Yasuoka, K., Extension of the replica exchange method for the first order phase transition simulation and application to the confined Lennard-Jones system, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Formation of ordered structures of water in carbon nanotubes with electric fields, International Symposium on Current Progress in Mathematics and Sciences (ISCPMS), Depok, Indonesia, 03-04 November 2015 (Presentation: 04 November 2015).

Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Gibbs ensemble Monte Carlo simulations of cage occupancies in strucutre I methane hydrate, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 31 August 2015).

Brumby, P. E., Yuhara, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Gibbs ensemble Monte Carlo simulations of sI methane hydrate, Telluride Workshop "Clathrate Hydrates Fundamentals: Bridging Molecular Structures to Microscopic Properties and Behavior”, Telluride, USA, 06-10 July 2015 (Presentation: 06 July 2015).

Nomura, K., Takaiwa, D., Bai, J., Yasuoka, K. and Zeng, X. C., GPU-accelerated replica-exchange molecular dynamics simulation of freezing behavior in confined quasi-1D water, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 20 December 2015).

Suh, D., Nakamura, M. and Yasuoka, K., Heterogeneous nucleation of bubbles by molecular dynamics, 9th International Symposium on Cavitation, Lausanne, Switzerland, 06-10 December 2015 (Presentation: 08 December 2015).

Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., Hydration and water pathway of rhodopsin in active and inactive states, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Yamamoto, E., Kalli, A. C., Akimoto, T., Yasuoka, K. and Sansom, M. S. P., Interactions of Pleckstrin Homology domains with a model lipid membrane, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Nozawa, T., Brumby, P. E. and Yasuoka, K., Investigation of chiral liquid-crystal phase transition of chiral liquid crystals, 19th Symposium on Thermophysical Properties, Boulder, USA, 21-26 June 2015 (Presentation: 24 June 2015).

Suh, D., Yasuoka, K. and Zeng, X. C., Molecular Dynamics Simulation of Aerosol Growth on Porous Precursor Particle, 6th Asian Particle Technology Symposium, Seoul, Korea, 15-18 September 2015 (Presentation: 17 September 2015).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation of Condensation on Elongated Nanocuboids and nanotubes, 2nd International Symposium on Computational Materials and Biological Sciences, Nagoya, Japan, 01-02 September 2015 (Presentation: 02 September 2015).

Inoue, K., Yamamoto, E., Takaiwa, D., Yasuoka, K. and Mikami, M., Molecular dynamics simulation of GM3/DPPC membrane with coarse-grained model, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 01 September 2015).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation of Water Vapor Forming Aerosols on Solid Precursor Particles, AAAR 34th Annual Conference, Minneapolis, USA, 12-16 October 2015 (Presentation: 14 October 2015).

Suh, D. and Yasuoka, K., Molecular Dynamics Simulation on Aerosol Formation of Water, Aerosol Technology, Tampere, Finland, 14-17 June 2015 (Presentation: 15 June 2015).

Takaiwa, D., Shimazu, N., Kawaguchi, T., Kaneko, T., Fuse, T. and Yasuoka, K., Molecular Dynamics Simulations of the Inhibition of Ice growth by Surfactant Molecules, 5th International Symposium on Micro and Nano Technology, Calgary, Canada, 18-20 May 2015 (Presentation: 18 May 2015).

Suh, D., Yasuoka, K. and Zeng, X., C., Molecular Dynamics Simulations of Vapor-to-Liquid Nucleation on Various Solid Precursor Particle Configurations, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Inoue, K., Yamamoto, E., Takaiwa, D., Yasuoka, K. and Mikami, M., Molecular dynamics study of GM3/DPPC membrane with Coarse-Grained Model, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Inoue, K., Yamamoto, E., Akimoto, T. and Yasuoka, K., Molecular dynamics study of oleic acid membrane as a protocell model, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Nozawa, T., Brumby, P. and Yasuoka, K., Molecular simulations on the effect of handling Coulomb interactions in liquid-crystal systems, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Yuhara, D., Suh, D., Barnes, B. C., Wu, D. T., Sum, A. K. and Yasuoka, K., Nucleation study for methane hydrate by molecular dynamics, 19th Symposium on Thermophysical Properties, Boulder, USA, 21-26 June 2015 (Presentation: 24 June 2015).

Yuhara, D., Barnes, B. C., Suh, D., Wu, D. T., Sum, A. K. and Yasuoka, K., Nucleation study of methane hydrate from molecular dynamics simulation, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Ordered-structures of water molecules in carbon nanotubes induced with electric field, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., Pathway for water molecule exchange between protein inside and bulk on active rhodopsin, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 01 September 2015).

Yuhara, D., Brumby, P. E., Wu, D. T., Sum, A. K. and Yasuoka, K, Phase equilibrium study of methane hydrate by NVT molecular dynamics simulation, Coarse graining:force fields and simulation, London, UK, 10-10 September 2015 (Presentation: 10 September 2015).

Doi, H., Kaneko, T. and Yasuoka, K., Phase transition of Lennard-Jones fluid in the cofined system, 19th Symposium on Thermophysical Properties, Boulder, USA, 21-26 June 2015 (Presentation: 24 June 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Preferential Adsorption of Water-Methanol Mixture in Carbon Nanotubes with Eletric Field, 5th International Symposium on Micro and Nano Technology, Calgary, Canada, 18-20 May 2015 (Presentation: 18 May 2015).

Nomoto, Y., Hiratsuka, M., Takaiwa, D., Fujita, Y., Kondo, Y. and Yasuoka, K., Relation between evaporation and relaxation of vibrational energy using non-equilibrium molecular dynamics simulation of diatomic molecules, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Nomura, K., Bai, J., Yasuoka, K. and Zeng, X. C., Replica Exchange Molecular Dynamics Simulation of Water and Ice Confined in Carbon Nanotube, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Arai, N., Yasuoka, K. and Zeng, X. C., Self-assembly of Janus origomers into onion-like vesicles, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 15 December 2015).

Doi, H., Kaneko, T. and Yasuoka, K., Solid-liquid and solid-solid phase transition of Lennard-Jones fluid in the cofined 2D system, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 18 December 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Structures of water molecules in carbon nanotubes induced with electric field and its application for water-alcohol separation, International Conference on Mechanical and Manufacturing Engineering (ICMME), Yogyakarta, Indonesia, 05-06 November 2015 (Presentation: 06 November 2015).

Nakamura, M., Suh, D. and Yasuoka, K., System Size Dependency Analysis of Homogeneous Bubble Nucleation by Molecular Dynamics, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Nakamura, M., Suh, D. and Yasuoka, K., System-Size Dependency Analysis of Homogeneous Bubble Nucleation by Molecular Dynamics, The 2015 International Chemical Congress of Pacific Basin Societies (Pacifichem 2015), Honolulu, USA, 15-20 December 2015 (Presentation: 17 December 2015).

Shimazu, N., Takaiwa, D., Kawaguchi, T., Kaneko, T., Fuse, T. and Yasuoka, K., The mechanism of ice growth inhibition by surfactant: A Molecular Dynamics Study, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Nozawa, T., Haslam, A., Jackson, G. and Yasuoka, K., Toward a SAFT-type equation of state for nematic liquid crystals, Coarse graining:force fields and simulation, London, UK, 10-10 September 2015 (Presentation: 10 September 2015).

Yamada, M., Hiratsuka, M., Wu, D. T., Sum, A. K. and Yasuoka, K., Vibrational Analysis of Guest Diatomic Molecule in Clathrate Hydrate with Density Functional Theory, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 01 September 2015).

Yamada, M., Hiratsuka, M., Wu, D. T., Sum, A. K. and Yasuoka, K., Vibrational Analysis of Guest Molecule in Clathrate Hydrate with Density Functional Theory, Telluride Workshop "Clathrate Hydrates Fundamentals: Bridging Molecular Structures to Microscopic Properties and Behavior”, Telluride, USA, 06-10 July 2015 (Presentation: 07 July 2015).

Yamada, M., Hiratsuka, M., Wu, D. T., Sum, A. K. and Yasuoka, K., Vibrational analysis of guest molecules in clathrate hydrate with ab initio calculation, Global Environmental System Leaders (GESL) Workshop on Molecular Simulation, Yokohama, Japan, 17-18 March 2015 (Presentation: 17 March 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Water confined in carbon nanotubes under the influence of electric fields for water-alcohol separation, 4th IGER International Symposium on Science of Molecular Assembly and Biomolecular Systems, Nagoya, Japan, 31-02 August 2015 (Presentation: 31 August 2015).

Winarto, Takaiwa, D., Yamamoto, E. and Yasuoka, K., Water molecules structure confined in carbon nanotube and electric field and its separation effect, International Workshop on Extended-nano Fluidics, Tokyo, Japan, 26-27 March 2015 (Presentation: 26 March 2015).

Yamamoto, E., Akimoto,T., Hirano, Y., Yasui, M., and Yasuoka, K., 1/f fluctuations of amino acids generate non-Poisson water transportation in AQP1, Biophysical Society 58th Annual Meeting, San Francisco, California, USA, 15-19 February 2014 (Presentation: 18 February 2014).

Yamamoto, E., Akimoto, T., Yasui, M., Yasuoka, K, 1/f noise in hydration dynamics on lipid membrane surfaces, Molecular Simulation Studies in Material and Biological Sciences, Moscow, Russia, 20-22 September 2014 (Presentation: 21 September 2014).

Yuhara, D., Hiratsuka, M., Takaiwa, D., Ohmura, R., Sum, A. K., and Yasuoka, K., Analysis of Methane Hydrate Nucleation by Molecular Dynamics Simulation, The 8th International Conference on Gas Hydrates, Beijing, China, 28-01 July 2014 (Presentation: 29 July 2014).

Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., Comparison of conserved water molecules in rhodopsin and opsin: Molecular dynamics study, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Shibuya, T., Yasuoka, K., Mirbt, S. and Sanyal, B., DFT study of Ti3+ states near oxygen vacancy on TiO2 (110): a new interpretation of STM, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B., Excess electron trapping at surface oxygen vacancy in TiO2 : Origin of STM anomaly, 248th ACS National Meeting and Exposition, San Francisco, US, 10-14 August 2014 (Presentation: 10 August 2014).

Yuhara, D., Suh, D., Barnes B.C.,Wu, D.T. , Sum, A.K., and Yasuoka, K., Extended Study on Molecular Dynamics of Methane Hydrate Nucleation, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Inoue, K., Yamamoto, E., Akimoto, T., and Yasuoka, K., Flip-flop pathways of lipid molecules in a model membrane, Dushanbe Symposium on Computational Materials and Biological Sciences, Dushanbe, Tajikistan, 23-28 September 2014 (Presentation: 24 September 2014).

Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A. and Zeng, X. C., Free energy surface of Water Confined in Slit Pores, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 10 November 2014).

Shibuya, T., Yasuoka, K., Mirbt, S., Sanyal, B., Burton, A., L., Skelton, J., and Walsh, A., Materials modelling for energy and fuels: From photovoltaics to photocatalysis, 248th ACS National Meeting and Exposition, San Francisco, US, 10-14 August 2014 (Presentation: 12 August 2014).

Nozawa, T., Takahashi, K. Z., Narumi, T., and Yasuoka, K., Molecular Dynamics simulation for liquid crystal system using isotropic periodic sum method, The 9th Liquid Matter Conference (Liquids 2014), Lisbon, Portugal, 21-25 July 2014 (Presentation: 23 July 2014).

Suh, D., Yasuoka K., and Zeng, X.C., Molecular Dynamics Simulation of Aerosol Growth from Various Seed Configurations, 2014 International Conference on Aerosols, Busan, Korea, 28-02 August 2014 (Presentation: 29 August 2014).

Koishi, T., Yasuoka, K., Fujikawa, S., and Zeng, X., Molecular dynamics simulation of preferential adsorption of denaturant molecules on hydrophilic and hydrophobic surfaces, The 9th Liquid Matter Conference (Liquids 2014), Lisbon, Portugal, 21-25 July 2014 (Presentation: 24 July 2014).

Tomobe, K., Yamamoto, E., Kholmurodov, K. and Yasuoka, K., Molecular dynamics simulation of Rhodopsin and Opsin: Comparison of structure and hydration, Dushanbe Symposium on Computational Materials and Biological Sciences, Dushanbe, Tajikistan, 23-28 September 2014 (Presentation: 24 September 2014).

Suh, D., Yasuoka K., Molecular dynamics simulations of vapor-to-liquid nucleation on various solid precursor particle configurations, The 9th Liquid Matter Conference (Liquids 2014), Lisbon, Portugal, 21-25 July 2014 (Presentation: 24 July 2014).

Tomobe, K., Yamamoto, E., Takuma, A., Yasui, M., and Yasuoka, K., Molecular dynamics study of conserved water molecules in PrPc and pathological point mutation T188R, Biophysical Society 58th Annual Meeting, San Francisco, California, USA, 15-19 February 2014 (Presentation: 18 February 2014).

Inoue, K., Takaiwa, D., Yasuoka, K., and Mikami, M., Molecular dynamics study of glycolipids/lipids membrane with Coarse-Grained Model, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Brumby, P., Yasuoka, K., Monte Carlo simulation of chiral liquid crystals with large pitch distances, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 10 November 2014).

Suh, D., Yasuoka K., and Zeng, X.C., Nanoparticle Generation from Various Seed Particles by Molecular Dynamics, International Conference on Nanotechnology: Fundamentals and Applications, Prague, Czech Republic, 11-13 August 2014 (Presentation: 11 August 2014).

Yamamoto, E., Akimoto, T., Yasui, M., and Yasuoka, K., Origin of 1/f fluctuations of number of water molecules on lipid membrane surfaces, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A., and Zeng, X., Phase transitions of water confined between two parallel hydrophobic surfaces, The 9th Liquid Matter Conference (Liquids 2014), Lisbon, Portugal, 21-25 July 2014 (Presentation: 22 July 2014).

Winarto, Takaiwa, D., Yamamoto, E., and Yasuoka, K., Preference of Water and Methanol Molecules Flowing into Carbon Nanotubes under Influence of Electric Field, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 10 November 2014).

Doi, H. and Yasuoka, K., Pressure and temperature controlling in generalized isobaric-isothermal ensembles, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Arai, N., Yasuoka, K., and Zeng, X., Self-assemby of triblock Janus nanoparticles solutions confined to a nanoslit using dissipative particle dynamics simulation, The 9th Liquid Matter Conference (Liquids 2014), Lisbon, Portugal, 21-25 July 2014 (Presentation: 22 July 2014).

Suh, D., Yasuoka K., and Zeng, X.C., Simulations of Vapor-to-Liquid Nucleation on Various Solid Precursor Particle Configurations by Molecular Dynamics, 7th Russian-Japanese Symposium on Molecular Simulation Studies in Material and Biological Sciences, Moscow, Russia, 21-22 September 2014 (Presentation: 21 September 2014).

Suh, D., Yasuoka K., and Zeng, X.C., Simulations of Vapor-to-Liquid Nucleation on Various Solid Precursor Particle Configurations by Molecular Dynamics, Dushanbe Symposium on Computational Materials and Biological Sciences, Dushanbe, Tajikistan, 23-28 September 2014 (Presentation: 24 September 2014).

Tomobe, K., Yamamoto, E., Akimoto, E., Yasui, M. and Yasuoka, K., Structural and hydration influence of pathogenic point mutation T188R: a molecular dynamics study, Molecular Simulation Studies in Material and Biological Sciences, Moscow, Russia, 20-22 September 2014 (Presentation: 21 September 2014).

Nozawa, T., Takahashi, K., Narumi, T. and Yasuoka, K., The effects of handling coulomb interaction on transport characteristic of liquid crystal system, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Takaiwa, D., Sakamaki, R., Sum, A. K., Narumi, T., and Yasuoka, K., The water model dependency of the melting point of hexagonal ice, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Hiratsuka, M., Ohmura, R., Sum, A. K., Alavi, S., and Yasuoka, K., Vibrational spectra of alcohol molecules in clathrate hydrates, International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nosé Dynamics 30 Years (NOSE30), Tokyo, Japan, 10-11 November 2014 (Presentation: 11 November 2014).

Hiratsuka, M., Ohmura, R., Sum, A. K., and Yasuoka, K., Vibrational spectra of alcohol molecules in clathrate hydrates from ab initio MD simulations, The 8th International Conference on Gas Hydrates, Beijing, China, 28-01 July 2014 (Presentation: 29 July 2014).

Nomura, K., Oikawa, M., Kawai, A., Narumi, T., and Yasuoka, K., 3P56 GPU Accelerated Replica Exchange Molecular Dynamics Simulation of Lennard-Jones Fluid, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, Ab initio Calculations of Vibrational Spectra and Guest – Host Interaction in Clathrate Hydrate, 16th International Conference on the Properties of Water and Steam, London, UK, 01-05 September 2013 (Presentation: 05 September 2013).

Nomura, K., Oikawa, M., Kawai, A., Narumi, T., and Yasuoka, K., Acceleration of Replica Exchange Molecular Dynamics Simulation on Graphics Processing Units, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Yuhara, D., Takaiwa, D and Yasuoka, K., Analysis for Crystal Growth of Methane Hydrate from Molecular Dynamics Simulation, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Yuhara, D., Takaiwa, D and Yasuoka, K., Analysis of Methane Hydrate Growth Rate from Molecular Dynamics Simulation, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Akimoto, T., Yamamoto, E., Yasui, M., Yasuoka, K., Anomalous water dynamics on the membrane surface, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Takahashi, K. Z., Nozawa, T., Kameoka, S., Narumi, T., Suh, D., Yasuoka, K., Applications of a Linear-combination-based Isotropic Periodic Sum Method in Molecular Dynamics Simulations, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi, Connection of atomistic and coarse-grained molecular simulation of polymer melts based on the Rouse parameters, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Shibuya, T., Yasuoka, K., MIrbt, S., and Sanyal, B., DFT Study of Negatively Charged Oxygen Vacancy on (110) TiO2 Surface, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B., DFT study of the bipolaron formation due to oxygen vacancy on (110) TiO2 surface, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Zhang, L., Shibuya, T., and Yasuoka, K., First-principles calculations of the dielectric properties of SiO2 and TiO2 surface, The 4th International Symposium on Micro and Nano Technology (ISMNT-4), Shanghai, China, 08-12 October 2013 (Presentation: 09 October 2013).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, Guest-host hydrogen bond in sII and sH amyl-alcohol hydrate from molecular dynamics simulation, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Donguk Suh and Kenji Yasuoka, Heterogeneous Nucleation on Nanorods and Nanotubes by Molecular Dynamics, 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, 13-21 April 2013.

Suh, D., Yasuoka, K., Heterogeneous Nucleation on Various Seed Configurations by Molecular Dynamics, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Kh. Kholmurodov, E. Dushanov, R. Eremin, Donguk Suh, and Kenji Yasuoka, Heterogeneous Water Vapor Nucleation Inside Carbon Nanopores, 17th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, 13-21 April 2013.

Takuma Nozawa, Kazuaki Takahashi, Tetsu Narumi, and Kenji Yasuoka, Molecular dynamics of 5CB with GPU accelerated Coulombic calculation, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Donguk Suh, Kenji Yasuoka, and Xiao Cheng Zeng, Molecular Dynamics Simulation of Heterogeneous Nucleation on Nanorods, 19th International Conference on Nucleation and Atmospheric Aerosols, Fort Collins, USA, 24-28 June 2013 (Presentation: 28 June 2013).

Donguk Suh and Kenji Yasuoka, Molecular Dynamics Simulation of Heterogeneous Nucleation on Various Seed Shapes, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Takaiwa, D., Yasuoka, K., and Ebisuzaki, T., Molecular dynamics simulation of interaction of nucleotide with a phospholipid bilayer, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Suh, D., Yasuoka, K., and Zeng, X., Molecular Dynamics Simulation of Vapor Condensation on Nanotubes, 4th ASME Micro/Nano Heat and Mass Transfer International Conference, Hong Kong, China, 11-14 December 2013 (Presentation: 12 December 2013).

Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., Molecular Dynamics Simulation on Conformational Fluctuation and Water Transport within AQP1, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Masato Yasui, and Kenji Yasuoka, Molecular Dynamics Simulations on Anomalous Dynamics of Water, Xenon, and Lipid Bilayer, Nagoya Symposium -Frontiers in Structural Physiology-, Nagoya, Japan, 22-24 January 2013.

Katsufumi Tomobe, Eiji Yamamoto, Takuma Akimoto, Masato Yasui, and Kenji Yasuoka, Molecular dynamics study of water behavior in typical hydration sites of PrPc and pathogenic mutation T188R, The 2nd International Symposium on development of global environmental system leaders through international collaborative education and research, Tokyo, Japan, 25-26 February 2013.

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka, Molecular motion analysis of amyl-alcohol in structure II and H clathrate hydrates by molecular dynamics simulation, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 12 September 2013).

Kenji Yasuoka, Molecular Simulation of formation for dimer of RNA substance and membrane, Earth-Life Science Institute, Opening Ceremony, Tokyo Institute of Technology and 1st Earth-Life Science Institute International Symposium, Tokyo, Japan, 27-29 March 2013 (Presentation: 29 March 2013).

Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., Origin of Anomalous Feature of WaterMolecules on Membrane Surface, 16th International Conference on the Properties of Water and Steam, London, UK, 01-05 September 2013 (Presentation: 03 September 2013).

Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A., and Zeng, X., Phase Transitions of Water Confined in Slit Pores, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Masato Yasui, and Kenji Yasuoka, Power-Law Trappings Cause Anomalous Diffusions of Water Molecules on Membrane Surfaces, Biophysical Society 57th Annual Meeting, Philadelphia, Pennsylvania, 02-06 February 2013 (Presentation: 03 February 2013).

Yamato, N., Yonekawa, I., Takahashi, K. Z., Yasuoka, K., and Masubuchi Y., Relaxation modulus connection between Atomistic and Coarse-Grained Molecular Simulation of Polymer Melts using the Rouse Parameters, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., Study of Water-Methanol Mixture Flowing into a Carbon Nanotube with Molecular Dynamics Simulation: Effect of Electric Field, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., Study of Water-Methanol Mixture Flowing into Carbon Nanotubes with Molecular Dynamics Simulation, 1st International Symposium on Computational Materials and Biological Sciences, Waseda, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Katsufumi Tomobe, Eiji Yamamoto, Takuma Akimoto, Masato Yasui, and Kenji Yasuoka, The behavior of conserved water molecules of PrPc and pathogenic mutation T188R by molecular dynamics simulations, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 11 September 2013).

Tomobe, K., Yamamoto, E., Dusan, K.,Yasui, M., and Yasuoka, K., The concentration and halide ion effect of the ionic cluster, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 19 November 2013).

Nozawa, T., Takahashi, K. Z., Narumi, T., and Yasuoka, K., The dependence of ordering process on Coulombic interaction treatment 5CB system, 3rd International Conference on Molecular Simulation (ICMS2013), Kobe, Japan, 18-20 November 2013 (Presentation: 18 November 2013).

Takaiwa, D., Sakamaki, R., Sum, A.K., Narumi, T., and Yasuoka, K., The melting point of hexagonal ice from the isobaric-isoenthalpic molecular dynamics simulation, 16th International Conference on the Properties of Water and Steam, London, UK, 01-05 September 2013 (Presentation: 04 September 2013).

Kaneko, T., Hara, T., Mitsutake, A., and Yasuoka, K., The role of beta sheets formation in the early stage self-assembly of peptide amphiphile worm-like micelles: A replica-exchange molecular dynamics study, 7th Mini-Symposium on Liquids, Fukuoka, Japan, 05-06 July 2013 (Presentation: 05 July 2013).

Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K., Water Transport Through a Carbon Nanotube with Molecular Dynamics Simulation, The 4th International Symposium on Micro and Nano Technology (ISMNT-4), Shanghai, China, 08-12 October 2013 (Presentation: 09 October 2013).

Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K., Water Transportation in Aquaporin-1 Follows non-Poisson Statics, 1st International Symposium on Computational Materials and Biological Sciences, Tokyo, Japan, 10-12 September 2013 (Presentation: 12 September 2013).

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Kenji Yasuoka, Masato Yasui, A Possible Mechanism on Pressure Reversal of General Anesthesia in Membrane, Biophysical Society 56th annual meeting, San Diego, California, 25-29 February 2012 (Presentation: 26 February 2012).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Ab initio Molecular Dynamics Simulations for Molecular Vibrations and Motions of Guest Molecules in Clathrate Hydrates, Tellluride Workshop on the Microscopic of Gas Hydrate, Telluride, USA, 09-12 July 2012 (Presentation: 12 July 2012).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Car-Parrinello molecular dynamics simulations with Grimme vdW correction for clathrate hydrates consisting of alcohol and fluorocarbon molecules, 4th EuCheMS Chemistry Congress, Prague, Czech Republic, 26-30 August 2012 (Presentation: 28 August 2012).

Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi, Connection of atomistic and coarse-grained molecular simulation of polymer melts based on the Rouse parameter, The XVIth International Congress on Rheology, Lisbon, Portugal, 05-10 August 2012 (Presentation: 07 August 2012).

Atsushi Kawai, Kenji Yasuoka, Kazuyuki Yoshikawa, Tetsu Narumi, Distributed-Shared CUDA: Virtualization of Large-Scale GPU Systems for Programmability and Reliability, The Fourth International Conference on Future Computational Technologies and Applications, FUTURE CONPUTING 2012, Nice, France, 22-27 November 2012 (Presentation: 24 November 2012).

Minoru Oikawa, Atsushi Kawai, Kentaro Nomura, Kazuyuki Yoshikawa, Kenji Yasuoka, Tetsu Narumi, DS-CUDA: a Middleware to Use Many GPUs in the Cloud Environment, SC12, Salt Lake City, US, 10-16 November 2012 (Presentation: 16 November 2012).

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Kenji Yasuoka, Masato Yasui, Dynamics of Water Molecules around a Lipid Bilayer, International Workshop MSSMBS'12, Moscow, Russia, 09-12 September 2012 (Presentation: 10 September 2012).

Takuma Akimoto, Toshihiro Kaneko, and Kenji Yasuoka, Energy landscape network in a water cluster, the 5th Discussion Meeting on Glass Transition, Miyagi, Japan, 27-01 February 2012 (Presentation: 28 February 2012).

Suh Donguk, Kenji Yasuoka, Heterogeneous Nucleation Analysis on a Cubic Seed by Molecular Dynamics, 15th Research Workshop: Nucleation Theory and Applications, Dubuna, Russia, 14-22 April 2012 (Presentation: 17 April 2012).

Suh Donguk, Kenji Yasuoka, Heterogeneous Nucleation of Nanoscale Seed Particles by Molecular Dynamics, 9th Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design, Puerto Baras, Chile, 08-12 October 2012 (Presentation: 08 October 2012).

Taizo Shibuya, Kenji Yasuoka, Susanne Mirbt, Biplab Sanyal, Hybrid functional DFT study of oxygen vacancy on (110) TiO2 surface, Psi-k Research Conference on Computational Oxide Spintronics, Cheshire, UK, 07-10 May 2012 (Presentation: 07 May 2012).

Taizo Shibuya, Kenji Yasuoka, Susanne Mirbt, Biplab Sanyal, Hybrid functional DFT study of Polarons due to Oxygen Vacancy formation on (110) TiO2 Surface, ASIAN-15, Taipei, Taiwan, 05-07 November 2012 (Presentation: 05 November 2012).

Suh, D. and Yasuoka, K., Kinetic Analysis on Nanoparticle Condensation by Molecular Dynamics, ASME 10th International Conference on Nanochannels, Microchannels, and Minichannels, Puerto Rico, US, 08-12 July 2012.

Suh Donguk, Gaku Machida, Kenji Yasuoka, Molecular Dynamics Simulation on Homogeneous Nucleation of Methanol, 3rd International Forum on Heat Transfer, Nagasaki, Japan, 13-15 November 2012 (Presentation: 13 November 2012).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Molecular motions of guest molecules in clathrate hydrates: ab initio molecular dynamics simulation, International Workshop MSSMBS'12, Dubuna, Russia, 09-12 September 2012 (Presentation: 10 September 2012).

Taizo Shibuya, Kenji Yasuoka, Susanne Mirbt, Biplab Sanyal, Oxygen vacancy formation on (110) TiO2 surface – a first principles study, Frontiers in Electronic Materials: Correlation Effects and Memristive Phenomena (Nature Conference), Aachen, Germany, 17-20 June 2012 (Presentation: 19 June 2012).

Toshihiro Kaneko, Takuma Akimoto, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng, Size-Dependent Phase Transitions in TIP4P Water Clusters Investigated by Multicanonical-Ensemble Molecular Dynamics Simulations, Energy Landscapes, Obergurgl, Austria, 16-21 July 2012 (Presentation: 17 July 2012).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Vibrational Spectra of Amyl-Alcohol Molecules in Clathrate Hydrates from Ab initio Molecular Dynamics Simulation, The Seventh General Meeting of ACCMS-VO, Sendai, Japan, 23-25 November 2012 (Presentation: 23 November 2012).

Kazuaki Takahashi, Ryuji Sakamaki., Rio Yokota, Lorena A. Barba, Tetsu Narumi, Kenji Yasuoka, A combination of the Tree code and IPS method to simulate large scale systems by molecular dynamics, International Conference on Computational Science (ICCS2011), Singapore, Singapore, 01-03 June 2011 (Presentation: 01 June 2011).

Ryuji Sakamaki, Rio Yokota, Tetsu Narumi, Kenji Yasuoka, Accelerating Classical Molecular Simulations on a GPU cluster, The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials" (MSBSM2011), Kyoto, Japan, 10-12 September 2011 (Presentation: 11 September 2011).

Donguk Suh, Kenji Yasuoka, Aerosol growth analysis based on various seed types by molecular dynamics, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 09 September 2011).

Ryuji Sakamaki, Kenji Yasuoka, Eric M. Grzelak, David T. Wu, Ryo Ohmura, Amadeu K. Sum, Calculation of interfacial tensions between hydrate and liquid phases using molecular simulation, 7th International Conference on Gas Hydrates ICGH7 2011, Edinburgh, Scotland, 17-21 July 2011 (Presentation: 19 July 2011).

Kazuaki Takahashi, Tetsu Narumi, Kenji Yasuoka, Cutoff Radius Effect of Water Configuration Using the Wolf Method, 8th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA, 13-17 March 2011 (Presentation: 15 March 2011).

Noriyoshi Arai, Kenji Yasuoka, Xiao Cheng Zeng, Dissipative Particle Dynamics Simulation for Surfactant Solution Confined to Nanochannel with Striped Janus Surfaces, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 08 September 2011).

Noriyoshi Arai, Kenji Yasuoka, Xiao Cheng Zeng, Dissipative Particle Dynamics Simulation for Surfactant Solution in Confined System, The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials" (MSBSM2011), Kyoto, Japan, 10-12 September 2011 (Presentation: 11 September 2011).

Toshihiro Kaneko, Takuma Akimoto, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng, Dynamical coexistence and size dependence of water cluster, The 5th International Mini-Symposium on Liquids, Okayama, Japan, 25-26 June 2011 (Presentation: 25 June 2011).

Rina Kagawa, Yoshinori Hirano, Kenji Yasuoka, Masato Yasui, Effects of water molecules on lipid bilayer dynamics in aqueous salt solutions: analyses of molecular dynamics simulation, Biophysical Society 55th Annual Meeting Baltimore, Baltimore, USA, 05-09 March 2011 (Presentation: 08 March 2011).

Hiroshi Seki, Yasuhiro Shibuya, Daisuke Kobayashi, Nohira Hiroshi, Yasuoka Kenji, Hirose Kazuyuki, Estimation of breakdown electric-field strength reflecting local structures of SiO2 by using first-principles molecular orbital calculation technique, International Conference on Solid State Devices and Materials, Nagoya, Japan, 28-30 September 2011 (Presentation: 29 September 2011).

Takaaki. Tsuzuki, Donguk Suh, Kenji Yasuoka, Extended study of bubble nucleation using molecular dynamics simulation, 85th ACS Colloid and Surface Science Symposium, Montreal, Canada, 19-22 June 2011 (Presentation: 22 June 2011).

Donguk Suh, Kenji Yasuoka, Heterogeneous Nucleation based Nanoparticle Growth Analysis by Molecular Dynamics, 15th Research Workshop: Nucleation Theory and Applications, Dubna, Russia, 16-24 April 2011 (Presentation: 19 April 2011).

Toshihiro Kaneko, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng, Isobaric-multithermal ensemble simulation of simple liquids confined in slit pores, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 08 September 2011).

Daisuke Murakami, Kenji Yasuoka, Molecular dynamics simulation of quasi-two-dimensional water network on ice nucleation protein, 8th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA, 13-17 March 2011 (Presentation: 15 March 2011).

Donguk Suh, Kenji Yasuoka, Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation, 8th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA, 13-17 March 2011 (Presentation: 15 March 2011).

Donguk Suh, Kenji Yasuoka, Molecular dynamics simulation on nanoparticle growth based on various seed types, 85th ACS Colloid and Surface Science Symposium, Montreal, Canada, 19-22 June 2011 (Presentation: 22 June 2011).

Toshihiro Kaneko, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng, Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jonse Clusters, 8th ASME/JSME Thermal Engineering Joint Conference, Hawaii, USA, 13-17 March 2011 (Presentation: 15 March 2011).

Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi, Multiscale simulation of entangled polymer melts, The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials" (MSBSM2011), Kyoto, Japan, 10-12 September 2011 (Presentation: 11 September 2011).

Iori Yonekawa, Kenji Yasuoka, Multiscale simulation of rod-like liquid crystals, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 09 September 2011).

Takuma Akimoto, Eiji Yamamoto, Kenji Yasuoka, Yoshinori Hirano, Masato Yasui, Non-Gaussian Fluctuations Resulting from Long Time Trapping in Lipid Bilayers, The 2nd international symposium on "Multi-scale Simulations of Biological and Soft Materials" (MSBSM2011), Kyoto, Japan, 10-12 September 2011 (Presentation: 11 September 2011).

Takuma Akimoto, Eiji Yamamoto, Kenji Yasuoka, Yoshinori Hirano, Masato Yasui, Non-Gaussian luctuation of Time-averaged Mean Square Displacement in Lipid Bilayer, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 08 September 2011).

Ryuji Sakamaki, Amadeu K. Sum, Tetsu Narumi, Kenji Yasuoka, Phase equilibria for common water models, The 5th International Mini-Symposium on Liquids, Okayama, Japan, 25-26 June 2011 (Presentation: 25 June 2011).

Ryuji Sakamaki, Amadeu Sum, Tetsu Narumi, Kenji Yasuoka, Solid/liquid and liquid/vapor equilibria for common water models, 8th Liquid Matter Conference, Wien, Austria, 06-10 September 2011 (Presentation: 06 September 2011).

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Vibrational spectra of methane clathrate hydrates from ab initio molecular dynamics simulation, 7th International Conference on Gas Hydrates ICGH7 2011, Edinburgh, Scotland, 17-21 July 2011 (Presentation: 19 July 2011).

Ryuji Sakamaki, Tetsu Narumi, Kenji Yasuoka, Accelerating Molecular Dynamics Simulation on GPGPU, 9th World Congress on Computational Mechanics and 4th Asian Pacific Congress on Computational Mechanics, Sydney, Australia, 19-23 July 2010.

Ryuji Sakamaki, Accelerating Molecular Simulations for the Study of Clathrate Hydrate on Graphic Processing Units, The 2nd International Symposium on Symbiotic, Safe and Secure System Design, Yokohama, Japan, February 2010.

Ryuji Sakamaki, Ryo Ohmura, Tetsu Narumi, Kenji Yasuoka Kenji, Accelerating molecular simulations to investigate the properties of clathrate hydrate by using Graphic Processing Units, Telluride Workshop on the Microscopic Description of Gas Clathrate, Telluride, USA, 12-16 July 2010.

Hayato Aida, Ryuji Sakamaki, Fumihito Takeuchi, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Calculation of Phase Equilibrium Condition and Occupancy Ratio of Clathrate Hydrate by Gibbs Ensemble Monte Carlo, Clathrate Hydrates and Technology Innovations - Challenges Toward a Symbiotic Energy Paradigm, Yokohama, Japan, 15-15 March 2010.

Kazuaki Takahashi, Tetsu Narumi, Kenji Yasuoka, Cutoff Radius Effect of Isotropic Periodic Sum Method in Water Homogeneous/Heterogeneous System, ICCT-2010 the 21st IUPAC International Conference on Chemical Thermodynamics, Tsukuba, Japan, 01-06 August 2010.

Kenji Yasuoka, Free Energy Calculation of Clathrate Hydrates / Vibrational Spectra of Methane in Structure-1, Telluride Workshop on the Microscopic Description of Gas Clathrate, Telluride, USA, 12-16 July 2010.

Kenji Yasuoka, Molecular dynamics simulation for vapor-liquid homogeneous nucleation, The International Chemical Congress of Pacific Basin Societies, Hawaii, USA, 15-20 December 2010.

Daisuke Murakami, Kenji Yasuoka, Molecular dynamics simulation of water adsorbed on ice nucleation protein, International Workshop MSSMBS'10 "Molecular Simulation Studies in Material and Biological Sciences", Moscow, Russia, 26-29 September 2010.

Iori Yonekawa, Kenji Yasuoka, Multiscale simulation of nematic liquid crystals, International Workshop MSSMBS'10 "Molecular Simulation Studies in Material and Biological Sciences", Moscow, Russia, 26-29 September 2010.

Toshihiro Kaneko, Kenji Yasuoka, Xiao Cheng Zeng, Phase diagram of Lennard-Jones fluid confined in slit pores, The 21st IUPAC International Conference on Chemical Thermodynamics, Tsukuba, Japan, 01-06 August 2010.

Ryuji Sakamaki, Ryo Ohmura, Tetsu Narumi, Kenji Yasuoka, Potential Model Dependency of Thermodynamical Properties on Methane/Water Interface, Clathrate Hydrates and Technology Innovations - Challenges Toward a Symbiotic Energy Paradigm, Yokohama, Japan, 15-15 March 2010.

Donguk Suh, Kenji Yasuoka, Seed Characteristics Analysis of Nanoparticle Growth by Heterogeneous Nucleation, The 21st IUPAC International Conference on Chemical Thermodynamics, Tsukuba, Japan, 01-06 August 2010.

Noriyoshi Arai, Kenji Yasuoka, Yuichi Masubuchi, Self-Assembly of Aqueous Surfactant Solutions in Nanotubes, 5-th Pacific Rim Conference on Rheology, Sapporo, Japan, 01-06 August 2010.

Kenji Yasuoka, Surface Tension of Water with Rigid Models, The International Association for the Properties of Water and Steam 2010 Annual Meeting, Ontario, Canada, 18-23 July 2010.

Fumihito Takeuchi, Ryo Ohmura, Kenji Yasuoka, Thermodynamic Stability on Fluorocarbon Clathrate Hydrates, Clathrate Hydrates and Technology Innovations - Challenges Toward a Symbiotic Energy Paradigm, Yokohama, Japan, 15-15 March 2010.

Masaki Hiratsuka, Ryo Ohmura, Kenji Yasuoka, Vibrational spectra of clathrate hydrates from ab initio molecular dynamics simulation, Clathrate Hydrates and Technology Innovations - Challenges Toward a Symbiotic Energy Paradigm, Yokohama, Japan, 15-15 March 2010.

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, Kenji Yasuoka, Vibrational spectra of methane molecule in the structure I clathrate hydrate from ab initio molecular dynamics simulations, 12th International Conference on the Physics and Chemistry of Ice, Sapporo, Japan, 05-10 September 2010.

Shun Kameoka, Tetsu Narumi, Kenji Yasuoka, Client-Server Architecture for Accelerating Molecular Dynamics Simulations with a PLAYSTATION 3 Cluster, HPC Asia 2009, Kaohsiung, Taiwan, March 2009.

Rio Yokota, Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka, Kenji Yasuoka, Shinnosuke Obi, DNS of Homogeneous Turbulence Using Vortex Methods Accelerated by the FMM on a Cluster of GPUs, Parallel Computational Fluid Dynamics (ParCFD) 2009, California, USA, March 2009.

Rio Yokota, Tetsu Narumi, Ryuji Sakamaki, Kenji Yasuoka, Shinnosuke Obi, Fast Multipole Methods on GPUs for the Meshfree Simulation of Turbulence, 10th US National Congress on Computational Mechanics, Ohio, USA, July 2009.

Tetsu Narumi, Tsuyoshi Hamada, Keigo Nitadori, Ryuji Sakamaki, Shun Kameoka, Kenji Yasuoka, High-PerfoOCrmance Quasi Double-Precision Method using Single-Precision Hardware for Molecular Dynamics Simulations with GPUs, HPC Asia 2009, Kaohsiung, Taiwan, March 2009.

Shun Kameoka, Ryuji Sakamaki, Toshiki Mima, Tetsu Narumi, and Kenji Yasuoka, Acceleration of molecular dynamics simulation of liquid crystals, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Hiroki Matsubara, Kenji Yasuoka and Toshikazu Ebisuzaki, Effect of Sulfuric Acid Molecules on Nucleation of Water Vapor : A Molecular Dynamics Study, 15th International Conference on the Properties of Water and Steam, Berlin, Germany, September 2008.

Keisuke Minatoya, Ryo Ohmura, Kenji Yasuoka and Amadeu K. Sum, Gibbs Ensemble Monte Carlo Simulations on the Binary Phase Equilibrium of Methane Hydrate / Methane Vapor, 15th International Conference on the Properties of Water and Steam, Berlin, Germany, September 2008.

Ryuji Sakamaki, Tetsu Narumi and Kenji Yasuoka, Large Scale Molecular Dynamics Simulation using Graphic Processing Unit, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Ermuhammad Dushanov, Kholmirzo Kholmurodov, Guzel Aru, Vladimir Korenkov, William Smith, Yousuke Ohno, Tetsu Narumi, Gentaro Morimoto, Makoto Taiji, Kenji Yasuoka, MD simulations with DL_POLY on computing clusters of different communication architectures, Molecular Simulation Studies in Material and Biological Sciences [MSSMBS2008], Dubna, Russia, September 2008.

Ryuji Sakamaki, Ryo Ohmura, Tetsu Narumi, and Kenji Yasuoka, Molecular Dynamics Simulation of Adsorption on Water/Methane Interface, 15th International Conference on the Properties of Water and Steam, Berlin, Germany, September 2008.

Kazuaki Takahashi, Kenji Yasuoka, and Tetsu Narumi, Molecular Dynamics Simulation of Homogeneous System using Isotropic Periodic Sum Method, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Takahiro Koishi, Kenji Yasuoka, X. C. Zeng and S. Fujikawa, Molecular Dynamics Simulation of Water Droplet on a Rough Surface, 15th International Conference on the Properties of Water and Steam, Berlin, Germany, September 2008.

Toshiki Mima, Tetsu Narumi, Shun Kameoka, and Kenji Yasuoka, Orientational Order and Transport Properties of Liquid Crystals in a Flat Slit, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka, Kenji Yasuoka, Overheads in Accelerating Molecular Dynamics Simulations with GPUs, 9th International Conference on Parallel and Distributed Computing, Dunedin, New Zealand, December 2008.

Toshihiro Kaneko, Toshiki Mima, Kenji Yasuoka, Phase transitions of Lennard-Jones fluid confined in slit pores, Molecular Simulation Studies in Material and Biological Sciences [MSSMBS2008], Dubna, Russia, September 2008.

Noriyoshi Arai, Kenji Yasuoka and X. C. Zeng, Self-Assembly of Aqueous Surfactant Solutions in Nanotubes, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Testu Narumi, Ryuji Sakamaki, Shun Kameoka, Kenji Yasuoka, Using Special-Purpose and Video-Game Computers for Accelerating Molecular Dynamics Simulations, Molecular Simulation Studies in Material and Biological Sciences [MSSMBS2008], Dubna, Russia, September 2008.

Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka, Rio Yokota, Shinnosuke Obi, and Kenji Yasuoka, Using Special-Purpose and Video-Game Computers for Accelerating Particle Based Simulations, International Symposium on Multi-scale Simulations of Biological and Soft Materials (MSBSM2008), Tokyo, Japan, June 2008.

Yoshinori Hirano, Kenji Yasuoka, Makoto Suematsu, Masato Yasui, Water exclusion mechanism of aquaporin-1 by molecular dynamics simulations, Molecular Simulation Studies in Material and Biological Sciences [MSSMBS2008], Dubna, Russia, September 2008.

Tetsu Narumi, Toshikazu Ebisuzaki, Makoto Taiji, and Kenji Yasuoka, Accelerating Molecular Dynamics Simulations by Special-Purpose Computers and Game Consoles, CALCON2007 (62nd Calorimetry Conference), Hawaii, USA, 05-10 August 2007.

Tarun Kumar Sheel, Kenji Yasuoka, and Shinnosuke Obi, Acceleration of vortex methods calculation using a special-purpose computer and FMM, ICCM2007 (International Conference on Computational Methods 2007), Hiroshima, Japan, 04-06 April 2007.

Tetsu Narumi, Fumikazu Konishi, Ryo Umetsu, Makoto Taiji, Toshikazu Ebisuzaki Kenji Yasuoka, Learning Computer Simulation with an MDGRAPE Accelerator Card, GHOU2007 (Global Hands-On Universe Conference), Tokyo, Japan, 13-16 July 2007.

Marehito Sekine, Kenji Yasuoka, Tomoyuki Kinjyo, and Mitsuhiro Matsumoto, Liquid-Vapor Nucleation Simulation of Lennard-Jones Fluid by Molecular Dynamics Method, The 1st International Colloquium on Dynamics, Physics and Chemistry of Bubbles and Gas-Liquid Boundaries (ICBB2007), Niseko, Hokkaido, Japan, September 2007.

Kenji Yasuoka, X. C. Zeng, Molecular Dynamics Simulation of Bubble Nucleation for Water, The 1st International Colloquium on Dynamics, Physics and Chemistry of Bubbles and Gas-Liquid Boundaries (ICBB2007), Niseko, Hokkaido, Japan, September 2007.

Keisuke Minatoya, Tatsuya Miyoshi, Ryo Ohmura, Kenji Yasuoka, Solubility of Methane under Water under High-Pressure/Low-Temperature Conditions by Gibbs Ensemble Monte Carlo Simulation, The 8th Asian Thermophysical Properties Conference, Fukuoka, Japan, 21-24 August 2007.

Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka, Kakoto Taiji, and Kenji Yasuoka, Special-Purpose Computers and Video-GameConsoles as a High Performance Computing Platform for Molecular Dynamics Simulation, The 9th High Performance Computing International Conference & Exhibition, Seoul, Korea, 09-13 September 2007.

Kazuaki Takahashi, Kenji Yasuoka, Tetsu Narumi, Transport Properties for Lennard-Jones Fluid and Water by Isotropic Periodic Sum Method in Molecular Dynamics Simulation, The 8th Asian Thermophysical Properties Conference, Fukuoka, Japan, 21-24 August 2007.

Takahiro Koishi, Kenji Yasuoka, and Toshikazu Ebisuzaki, Asymmetrical shape growth of liquid-solid nucleation, 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, June 2006.

Daisuke Murakami, Yoshimichi Andoh, and Kenji Yasuoka, Toshikazu Ebisuzaki, Behavior of Water Molecules Adsorbed on Outer Membrane Protein, International Symposium on Molecular Simulations -A symposium to mark the retirement of Professor Yasuaki Hiwatari-, Kanazawa, Japan, March 2006.

Noriyoshi Arai, Kenji Yasuoka and Yuichi Masubuchi, Dissipative Particle Dynamics Simulation for Fomation Process of Threadlike Micelles, International Symposium on Molecular Simulations -A symposium to mark the retirement of Professor Yasuaki Hiwatari-, Kanazawa, Japan, March 2006.

Noriyoshi Arai, Kenji Yasuoka, and Yuichi Masubuchi, Dissipative Particle Dynamics Simulation for Formation Process of Threadlike Micelles under Shear Flow, Third International Conference Multiscale Materials Modeling, Freiburg, Germany, September 2006.

Yoshimichi Andoh, Kenji Kurahashi, Hiroshi Sakuma, Kenji Yasuoka, and Kazue Kurihara, Molecular dynamics investigation of ethanol macrocluster on H-terminated SiO2 surface, 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, June 2006.

Kenji Yasuoka and Mitsuhiro Matsumoto, Molecular Dynamics Simulation of Bubble Formation for Water, 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, June 2006.

Yoshimichi Andoh, Kenji Kurahashi, Hiroshi Sakuma, Kenji Yasuoka, and Kazue Kurihara, Molecular Dynamics Simulation of Ethanol Macrocluster on H-terminated SiO2 Surface, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Hiroki Matsubara, Takahiro Koishi, and Toshikazu Ebisuzaki, Kenji Yasuoka, Molecular Dynamics Simulation of Heterogeneous Nucleation in the H2O/H2SO4 Vapor, International Symposium on Molecular Simulations -A symposium to mark the retirement of Professor Yasuaki Hiwatari-, Kanazawa, Japan, March 2006.

Tatsuya Miyoshi, Ryo Ohmura, and Kenji Yasuoka, Molecular Dynamics Simulation of Structure-H Hydrate Formed with Methane and Methylbutane, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Toshiki Mima and Kenji Yasuoka, Molecular Dynamics Simulation on Confined Liquid Crystals, International Symposium on Molecular Simulations -A symposium to mark the retirement of Professor Yasuaki Hiwatari-, Kanazawa, Japan, March 2006.

Toshiki Mima and Kenji Yasuoka, Molecular Dynamics Simulation on Confined Liquid Crystals, International Workshop MSSMBS'06 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, September 2006.

Toshiki Mima, Kenji Yasuoka, and Shuichi Nose, Molecular Dynamics Simulation on Time-irreversibility of Stationary Heat Flux, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Tatsuya Miyoshi, Ryo Ohmura, and Kenji Yasuoka, Molecular Dynamics Simulations for Structure-H Hydrates of Hydrocarbons Large Molecular Guest Substances, 11th International Conference on the Physics and Chemistry of Ice, Bremerhaven, Germany, July 2006.

Hiroki Matsubara, Takahiro Koishi, Toshikazu Ebisuzaki, and Kenji Yasuoka, Molecular Dynamics Study of Homogeneous Nucleation of Water Vapor, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Hiroki Matsubara, Takahiro Koishi, Toshikazu Ebisuzaki, and Kenji Yasuoka, Molecular dynamics study of homogeneous nucleation of water vapor, 80th ACS Colloid and Surface Science Symposium, Boulder, Colorado, USA, June 2006.

Takahiro Koishi, Kenji Yasuoka, and Toshikazu Ebisuzaki, Molecular Dynamics Study of Shape Effect in Liquid-Solid Nucleation, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Yoshimichi Andoh and Kenji Yasuoka, Molecular Structure and Dynamics at the Vapor/Ethanol-Aqueous-Solution Interface, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Noriyoshi Arai, Kenji Yasuoka, and Yuichi Masubuchi, Structural Analysis of Threadlike Micelles: A Dissipative Particle Dynamics Study, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Yoshimichi Ando, Masatoshi Furuya, Kenji Yasuoka, and Kazue Kurihara, Variation for Microscopic Structure of Ethanol/Cyclohexane Binary Liquid with Molar Fraction and Molecular Description of Diffusion Coefficient of Ethanol, Symposium on Progress and Future Prospects in Molecular Dynamics Simulation -In Memory of Professor Shuichi Nose-, Yokohama, Japan, June 2006.

Makoto Furuya, Yoshimichi Ando, Kenji Yasuoka, and Kazue Kurihara, Variation for Microscopic Structure of Ethanol/Cyclohexane Binary Liquid With Mole Fraction and Molecular Description of Self-Diffusion Coefficient of Ethanol, International Workshop MSSMBS'06 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, September 2006.

Noriyoshi Arai, Kenji Yasuoka, Yuichi Masubuchi, Dissipative Particle Dynamics of Surfactant Threadlike Miceller Solutions, 8th US National Congress on Computational Mechanics (USNCCM), Austin, USA, July 2005.

Yamato Okano and Kenji Yasuoka, Free energy calculation of structure-H hydrate, Fifth International Conference on Gas Hydrates (ICGH 2005), Trondheim, Norway, June 2005.

Takahiro Koishi, Kenji Yasuoka, S. Yoo, X. C. Zeng, Large Scale Molecular Dynamics Simulation of Nanobubble Formation by Nanoscale Hydrophobic Interaction, 6th Liquid Matter Conference, Utrecht, the Netherlands, July 2005.

Yoshimichi Andoh, Shogo Enomoto, Kenji Yasuoka and Kazue Kurihara, Microscopic Structural Transition in Ethanol/Cyclohexane Binary Liquid with Molar Fraction and its Influence on Macroscopic Properties, 8th US National Congress on Computational Mechanics (USNCCM), Austin, USA, July 2005.

Yoshimichi Andoh and Kenji Yasuoka, Molecular Dynamics Study of Ethanol Monolayer: 2D Percolation Transition and its Influence on Macroscopic Properties, 6th Liquid Matter Conference, Utrecht, the Netherlands, July 2005.

Kenji Yasuoka, Yamato Okano, Tomoyuki Kinjo, and Mitsuhiroi Matsumoto, Bubble Formation in Liquid Water, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, January 2004.

Yoshimichi Andoh and Kenji Yasuoka, Dependency of Adsorption and Desorption Probabilities on Two-Dimensional States of Adsorbed Monolayerq, 14th International Conference on the Properties of Water and Steam (14th ICPWS), Kyoto, Japan, August 2004.

Takeshi Aramaki, Noriaki Okimoto, Kenji Yasuoka, and Katsuhiko Kawamura, Evaluation of the Potential Models for water molecule contained in HIV-1 Protease, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, January 2004.

Takeshi Aramaki, Noriaki Okimoto, Kenji Yasuoka, and Katsuyuki Kawamura, Evaluation of the Potential Models for Water Molecule Contained in HIV-1 Protease, 14th International Conference on the Properties of Water and Steam (14th ICPWS), Kyoto, Japan, August 2004.

Kenji Yasuoka, Yamato Okano, Tomoyuki Kinjo, and Mitsuhiro Matsumoto, Molecular Dynamics Simulation of Bubble Nucleation for Liquid Water, 14th International Conference on the Properties of Water and Steam (14th ICPWS), Kyoto, Japan, August 2004.

Yusuke Kakinuma, Kenji Yasuoka, and Tamio Ikeshoji, Molecular Dynamics Simulation of Clustering Process from Liquid Droplet with Adiabatic Expansion, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, January 2004.

Yamato Okano and Kenji Yasuoka, Molecular Dynamics Simulation of Decomposition Process for Structure-H Hydrate, 14th International Conference on the Properties of Water and Steam (14th ICPWS), Kyoto, Japan, August 2004.

Yamato Okano and Kenji Yasuoka, Molecular Dynamics Simulation of Dissociation Process for Methane Hydrate, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, January 2004.

Takahiro Koishi, Kenji Yasuoka, Toshikazu Ebisuzaki, Molecular Dynamics Simulation of Nucleation in NaCl and NaCl-KCl Mixture Systems, International Workshop MSSMBS'04 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, September 2004.

Kenji Yasuoka, Molecular Dynamics Simulations of Cluster and Bubble Nucleation with Special-Purposes Molecular Dynamics Machine, International Workshop MSSMBS'04 "Molecular Simulation Studies in Material and Biological Sciences", Dubna, Russia, September 2004.

Takahiro Koishi, Kenji Yasuoka, and Tosikazu Ebisuzaki, Molecular dynamics study of solid-liquid nucleation in alkali halide mixture, 16th International Conference on Nucleation and Atmospheric Aerosols (ICNAA16), Kyoto, Japan, July 2004.

Takahiro Koishi, S. Yoo, Kenji Yasuoka., X. C. Zeng, Tetsu Narumi, Ryutaro Susukita, Atsushi Kawai, Hideaki Furusawa, Atsushi Suenaga, Noriaki Okimoto, Noriyuki Futatsugi and Toshikazu Ebisuzaki, Nanobubble Formation and Hydrophobic Interaction in Between Patterned Nonpolar/Polar Nanoassemblies, 16th International Conference on Nucleation and Atmospheric Aerosols (ICNAA16), Kyoto, Japan, July 2004.

Yoshimichi Andoh and Kenji Yasuoka, Relation between the Gaseous-Liquid Phase Transition at the Air/Water Interface and Adsorption/Desorption Dynamics, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tsukuba, Japan, January 2004.

Takahiro Koishi, Kenji Yasuoka, and T. Ebisuzaki, Study of Nucleation of Supercooled Alkali Halide Mixture by Molecular Dynamics Simulation, Joint Meeting: "International Conference on Molecular Simulation (ICMS)" and "Computational Science Workshop 2004 (CSW2004)", Tukuba, Japan, January 2004.

Takahiro Koishi, Kenji Yasuoka and Toshikazu Ebisuzaki, Large scale molecular dynamics simulation of nucleation in alkali halide mixture, 77th ACS Colloid and Surface Science Symposium, Atlanta, USA, June 2003.

Kenji Yasuoka, Molecular dynamics simulation for adsorption and desorption of ethanol molecule on water vapor-liquid interface, Annual Meeting of the International Association for the Properties of Water and Steam, Vejle, Denmark, September 2003.

Kholmirzo Kholmurodov, Kenji Yasuoka and X. C. Zeng, Molecular Dynamics Studies of the Confined Heterogeneous Nucleation on a Graphitic Carbon Surface. Supersaturated Water System in a Slit Nanopore, 77th ACS Colloid and Surface Science Symposium, Atlanta, USA, June 2003.

Takahiro Koishi, Kenji Yasuoka, X. C. Zeng, Tetsu Narumi, Ryutaro Susukita, Atsushi Kawai, Hideaki Furusawa, Toshikazu Ebisuzaki, A large scale molecular dynamics simulation of water with hydrophobic wall system, 5th Liquid Matter Conference, Konstanz, Germany, September 2002.

Gentaro Watanabe, Katsuhiko Sato, Kenji Yasuoka, Toshikazu Ebisuzaki, Microscopic Study of Nuclear “Pasta”: Quantum Molecular Dynamics Approach, the Seventh International Symposium on Nuclei in the Cosmos, Yamanashi, Japan, July 2002.

Gentaro Watanabe, Katsuhiko Sato, Kenji Yasuoka, Toshikazu Ebisuzaki, Microscopic Study of Nuclear “Pasta”: Quantum Molecular Dynamics Approach, the XVI International Conference on Particles and Nuclei, Osaka, Japan, 30-04 September 2002.

Kei Miyazaki, Kenji Yasuoka, Molecular Dynamics Simulation of Formation Process for Methane Hydrate, Fourth International Conference on Gas Hydrates, Yokohama, Japan, May 2002.

Gentaro Watanabe, Katsuhiko Sato, Kenji Yasuoka, Toshikazu Ebisuzaki, Microscopic Study of Nuclear “Pasta” by Quantum Molecular Dynamics, First Joint Meeting of the Nuclear Physicists of the American Physical Society and the Physical Society of Japan, Hawaii, USA, August 2001.

Gentaro Watanabe, Katsuhiko Sato, Kenji Yasuoka, Toshikazu Ebisuzaki, Microscopic Study of Nuclear “Pasta” by Quantum Molecular Dynamics, the 5th RESCEU International Symposium: "New Trends in Theoretical and Observational Cosmology", Tokyo, Japan, November 2001.

Kenji Yasuoka, Molecular dynamics simulation of vapor-liquid nucleation, Annual Meeting of the International Association for the Properties of Water and Steam, Gaithersburg, Maryland, USA, September 2001.

Tetsu Narumi, Ryutaro Susukita, Takahiro Koishi, Kenji Yasuoka, Hideaki Furusawa, Atsushi Kawai, and Toshikazu Ebisuzaki, 1.34 Tflops Molecular Dynamic simulation for NaCl with a Special Purpose Computer: MDM, SC2000: Winner of the Gordon Bell Prizes (Peak Performance Category), Dallas, U.S.A., November 2000.

K. Kholmurodov, Kenji Yasuoka, and X. C. Zeng, MD Simulation Of Heterogeneous Vapor Nucleation On a Solid Surface, Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, August 2000.

Takahiro Koishi, Kenji Yasuoka, Tetsu Narumi, Ryutoro Susukita, Hideaki Furusawa, Toshikazu Ebisuzaki, MD simulation of solid-liquid phase transition for NaCl-KCl mixture with a special purpose computer (MDM), Conference on Computational Physics (CCP2000), Gold Coast, Queensland, Australia, December 2000.

A. V. V. Tran, Takahiro Koishi, Koji Ohguchi, Kenji Yasuoka, Tetsu Narumi, Rutaro Susukita, Toshikazu Ebisuzaki, Molecular dynamics simulation for water-AgI with a special purpose computer (MDM), Conference on Computational Physics (CCP2000), Gold Coast, Queensland, Australia, December 2000.

Shinobu Tanimura and Kenji Yasuoka, Molecular Dynamics Simulation of the Homogeneous Nucleation of UF6 Molecules, Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, August 2000.

Mitsuhiro Matsumoto, Koji Ohguchi, and Kenji Yasuoka, Molecular Simulation of Ion-induced Nucleation in Water Vapor, Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, August 2000.

Koji Ohguchi, Kenji Yasuoka, and Mitsuhiro Matsumoto, Molecular Simulation of Seed-Induced Nucleation in Vapor Phase, Proc. 15th International Conference on Nucleation and Atmospheric Aerosols, Rolla, USA, August 2000.

K. Kholmurodov, W. Smith, Kenji Yasuoka, and Toshikazu Ebisuzaki, A Highly Vectorised “Link-Cell” Fortran Code for the DL_POLY Molecular Dynamics Simulation Package, The CCP5 Annual Meeting (Simulation Clusters and Interfaces), Birmingham, UK, September 1999.

Kenji Yasuoka, Koji Ohguchi, and Mitsuhiro Matsumoto, Molecular Simulations of Vapor-Liquid Nucleation, La Jolla Advanced Topics Research School '99, La Jolla, USA, November 1999.

Kenji Yasuoka and X. C. Zeng, Computer Simulation of Vapor-Liquid Nucleation of Confined Fluid, 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, June 1998.

Mitsuhiro Matsumoto, Kenji Yasuoka, Tomoyuki Kinjo, and Koji Ohguchi, Molecular Dynamics Simulation as a Tool to Investigate Fluid Phase Nucleation Phenomena, 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, June 1998.

Koji Ohguchi, Kenji Yasuoka, and Mitsuhiro Matsumoto, Vapor Nucleation of Binary System-Molecular Dynamics Simulation, 72nd Colloid and Surface Science Symposium, Pennsylvania, USA, June 1998.