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Motoyuki Shiga

5PUBLICATIONS

5CO-AUTHORS

Theoretical quantum chemistrySemi- and unsupervised learningTransport properties and non-equilibrium processesMetal organic frameworks

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Publications (5)

Sort by Publication Date:

|Nov 21, 2021

Ab initio study of nuclear quantum effects on sub- and supercritical water.

Bo Thomsen, Motoyuki Shiga

|Jul 23, 2021

Self-learning hybrid Monte Carlo method for isothermal-isobaric ensemble: Application to liquid silica.

Keita Kobayashi, Yuki Nagai, Mitsuhiro Itakura

|Feb 28, 2021

Nuclear quantum effects on autoionization of water isotopologs studied by ab initio path integral molecular dynamics.

Bo Thomsen, Motoyuki Shiga

|Dec 02, 2020

Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states.

Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga

|Apr 01, 2019

Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term.

Y Kawashima, K Ishimura, M Shiga

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Frequent Collaborators

2 joint publications

Bo Thomsen

1 joint publications

Y Kawashima

1 joint publications

K Ishimura

1 joint publications

Yoshifumi Noguchi

1 joint publications

Keita Kobayashi

Frequent Collaborators

2 joint publications

Bo Thomsen

1 joint publications

Y Kawashima

1 joint publications

K Ishimura

1 joint publications

Yoshifumi Noguchi

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