Takuma Ikeda

Beyond Multiscale: A Neural Network-Unified Molecular Model for Asymmetry-Free Dynamics Simulation

Takuma Ikeda, Hiroshi Watanabe, Haruyuki Nakano

Adaptive multiscale simulations, such as adaptive QM/MM, are indispensable for investigating complex solution dynamics but historically suffer from a fundamental dilemma: the dynamic exchange of identical solvent molecules across different model resolutions introduces a physical…Read more