論文一覧
- 2024年 (6 papers)
- Winarto, Yuliati, L., Purnami, Brumby, P. E., Yasuoka, K., "High selectivity of CO2 capture with single- and double-walled carbon nanotubes", Environmental Science: Nano, 12, 1375-1383(2024). (9 pages.) DOI: 10.1039/D4EN00496E
- Ono Y., Yamamoto E. and Yasuoka K., "Water structures in tip-charged carbon nanotubes", The Journal of Chemical Physics, 161, 054702(2024). (13 pages.) DOI: 10.1063/5.0218315
- Yasuda, I., Endo, K., Arai, N. and Yasuoka, K., "In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice", Communications Chemistry, 7, 117(2024). (11 pages.) DOI: 10.1038/s42004-024-01197-0
- Kowaguchi, A., Brumby, P. E. and Yasuoka, K., "Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization", Journal of Chemical Information and Modeling, 64, 4673-4686(2024). (14 pages.) DOI: 10.1021/acs.jcim.4c00078
- Ishiai, S., Endo, K., Brumby, P. E., Sum, A. K. and Yasuoka, K., "Novel approach for designing order parameters of clathrate hydrate structures by graph neural network", The Journal of Chemical Physics, 160, 064504(2024). (11 pages.) DOI: 10.1063/5.0177815
- Ishiai, S., Yasuda, I., Endo, K. and Yasuoka, K., "Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations", Journal of Chemical Theory and Computation, 20, 819-831(2024). (13 pages.) DOI: 10.1021/acs.jctc.3c00995
|
|
Copyright(c) 1998-2023 Yasuoka Laboratory, Keio University. All rights reserved.
|
