Presentation Information
[D-241P]Beyond Multiscale: A Neural Network-Unified Molecular Model for Asymmetry-Free Dynamics Simulation
Takuma Ikeda2, ○Hiroshi Hiroshi Watanabe1, Haruyuki Nakano1 (1. Department of Chemistry, Faculty of Science, Kyushu University, 2. Department of Chemistry, Graduate School of Science, Kyushu University)
Keywords:
Multiscale model,QM/MM,Molecular Dynamics,solvation effect