A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation. - Takuya Okamoto; Kenta Yamada; Yoshiyuki Koyano; Toshio Asada; Nobuaki Koga; Masataka Nagaoka (J. Comput. Chem., 2011)

Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations. - Kenta Yamada; Yoshiyuki Koyano; Takuya Okamoto; Toshio Asada; Nobuaki Koga; Masataka Nagaoka (J. Comput. Chem., 2011)

Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths. - Yuki Mitsuta; Toshio Asada (J. Comput. Chem., 2023)

Curvature-weighted nudged elastic band method using the Riemann curvature. - Yuki Mitsuta; Toshio Asada (J. Comput. Chem., 2023)