K. Araki and K. Ando,
Molecular dynamics simulation analysis of water cluster in the ligand binding pocket of medaka fish taste receptor protein.
Chem. Lett. 54, upaf114 (2025).
/ ChemRxiv
C. Okamoto and K. Ando,
Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor.
Biophys. Physicobiol. 21, e210007 (2024).
/ arXiv
/ bioRxiv
K. Ando,
Potential energy surfaces for electron dynamics from a model of localized Gaussian wave packets with valence-bond spin-coupling: high-harmonic generation spectra from H and He atoms.
Chem. Phys. 570, 111883 (2023).
/ arXiv
T. Joutsuka and K. Ando,
Efficient Free-Energy Calculation of Proton Transfer by Constrained Density Functional Theory and Geometrically Restrained Molecular Dynamics Simulation,
Chem. Lett. 50, 1325-1328 (2021).
T. Joutsuka and K. Ando,
Constrained Density Functional Theory Molecular Dynamics Simulation of Deprotonation in Aqueous Silicic Acid,
J. Phys. Chem. B 124, 8323-8330 (2020).
H. Kitoh-Nishioka, Y. Shigeta, and K. Ando,
Tunneling matrix element and tunneling pathways of protein electron transfer calculated with a fragmet molecular orbital method,
J. Chem. Phys. 153, 104104 (2020).
K. Ando,
Single-electron quantum dynamics in high-harmonic generation
spectrum from LiH molecule:
analysis of potential energy surfaces for electrons
constructed from a model of localized Gaussian wave packets with
valence-bond spin-coupling,
J. Chem. Phys. 152, 084306 (2020).
/ arXiv
H. Kitoh-Nishioka and K. Ando,
Calculation of Charge-Transfer Electronic Coupling with Nonempirically Tuned Range-Separated Density Functional,
J. Phys. Chem. C 123, 11351-11361 (2019).
A. Sakurai, K. Ando, and S. Ashihara,
Ultrafast proton/deuteron dynamics in KTaO3 observed with infrared pump-probe spectroscopy: Toward understanding of proton conduction mechanism in solid oxides,
J. Chem. Phys. 149, 104502 (2018).
R. Sato, H. Kitoh-Nishioka, K. Ando, and T. Yamato,
Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited,
J. Phys. Chem. B 122, 6912-6921 (2018).
K. Ando,
Potential energy surfaces for electron dynamics modeled by floating and breathing Gaussian wave packets with valence-bond spin-coupling: An analysis of high-harmonic generation spectrum,
J. Chem. Phys. 148, 094305 (2018).
/ arXiv