Hideaki Takahashi

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

High Efficiency

Top Venues

The Journal of chemical physics

The journal of physical chemistry. B

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Hideaki Takahashi
Development of nonlocal kinetic-energy density functional for the hybrid QM/MM interaction. The Journal of chemical physics 158 (1) (2023)
Hideaki Takahashi, Shun Sakuraba, Akihiro Morita
Large-Scale Parallel Implementation of Hartree-Fock Exchange Energy on Real-Space Grids Using 3D-Parallel Fast Fourier Transform. Journal of chemical information and modeling 60 (3) (2020)
Hideaki Takahashi, Daiki Suzuoka, Shun Sakuraba, Akihiro Morita
Role of the Photosystem II as an Environment in the Oxidation Free Energy of the Mn Cluster from S1 to S2. The journal of physical chemistry. B 123 (33) (2019)
Hideaki Takahashi, Hiroyuki Kambe, Akihiro Morita
Calculation of solvation free energy utilizing a constrained QM/MM approach combined with a theory of solutions. The Journal of chemical physics 150 (11) (2019)
Hideaki Takahashi, Hiroyuki Kambe, Akihiro Morita
A simple and effective solution to the constrained QM/MM simulations. The Journal of chemical physics 148 (13) (2018)
Hideaki Takahashi, Satoru Umino, Yuji Miki, Ryosuke Ishizuka, Shu Maeda, Akihiro Morita, Makoto Suzuki, Nobuyuki Matubayasi
Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions. The journal of physical chemistry. B 121 (10) (2017)