Nobuyuki Matubayasi

Publication Activity (10 Years)

Years Active: 2014-2023
Publications (10 Years): 3

Top Topics

Molecular Dynamics Simulations

Belief Propagation

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

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. J. Chem. Inf. Model. 63 (1) (2023)
Ryosuke Ishizuka, Nobuyuki Matubayasi
Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory. J. Comput. Chem. 38 (30) (2017)
Robert C. Harris, Nan-Jie Deng, Ronald M. Levy, Ryosuke Ishizuka, Nobuyuki Matubayasi
Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points. J. Comput. Chem. 38 (15) (2017)
Shun Sakuraba, Nobuyuki Matubayasi
Ermod: Fast and versatile computation software for solvation free energy with approximate theory of solutions. J. Comput. Chem. 35 (21) (2014)