Refined metadynamics through canonical sampling using time-invariant bias potential: A study of polyalcohol dehydration in hot acidic solutions. - Tomomi Kondo; Takehiko Sasaki; Sergi Ruiz-Barragan; Jordi Ribas-Ariño; Motoyuki Shiga (J. Comput. Chem., 2021)

Cover Image. - Tomomi Kondo; Takehiko Sasaki; Motoyuki Shiga (J. Comput. Chem., 2021)

The mechanism of sorbitol dehydration in hot acidic solutions. - Tomomi Kondo; Takehiko Sasaki; Motoyuki Shiga (J. Comput. Chem., 2021)

Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes. - Asit Pal; Subhendu Pal; Shivani Verma; Motoyuki Shiga; Nisanth N. Nair (J. Comput. Chem., 2021)

Path integral Brownian chain molecular dynamics: A simple approximation of quantum vibrational dynamics. - Motoyuki Shiga (J. Comput. Chem., 2022)