Graph-Neural-Network-Based Unsupervised Learning of the Temporal Similarity of Structural Features Observed in Molecular Dynamics Simulations
Ishiai, Satoki, Yasuda, Ikki, Endo, Katsuhiro, Yasuoka, Kenji
Published in Journal of chemical theory and computation (23.01.2024)
Published in Journal of chemical theory and computation (23.01.2024)
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Journal Article
Machine learning-enabled exploration of mesoscale architectures in amphiphilic-molecule self-assembly
Sudo, Takeo, Ishiai, Satoki, Ishiwatari, Yuuki, Yokoyama, Takahiro, Yasuoka, Kenji, Arai, Noriyoshi
Published in arXiv.org (17.04.2024)
Published in arXiv.org (17.04.2024)
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