Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies. - Akie Kowaguchi; Katsuhiro Endo; Paul E. Brumby; Kentaro Nomura; Kenji Yasuoka (J. Chem. Inf. Model., 2022)

An Efficient Random Number Generation Method for Molecular Simulation. - Kiyoshiro Okada; Paul E. Brumby; Kenji Yasuoka (J. Chem. Inf. Model., 2022)

Hysteresis Elimination for an Anisotropic Liquid-Crystal Model via Molecule Design and Replica-Exchange Optimization. - Akie Kowaguchi; Paul E. Brumby; Kenji Yasuoka (J. Chem. Inf. Model., 2024)