Ryo Kawada, Katsuhiro Endo, Kenji Yasuoka, Hidekazu Kojima, Nobuyuki Matubayasi. Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models. Journal of Chemical Information and Computer Sciences, 63(1):76-86, 2023. [doi]
Abstract is missing.