Yasuoka Laboratory


  • 2024年 (2 papers)
    • 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

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