Motoyuki Shiga
9PUBLICATIONS
11CO-AUTHORS
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Publications (9)
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|Oct 06, 2025
Computation of the heat capacity of water from first principles.Motoyuki Shiga, Jan Elsner, Jörg Behler
|Mar 13, 2025
Ab initiopath-integral simulations of hydrogen-isotope diffusion in face-centred cubic metals.Hajime Kimizuka, Shigenobu Ogata, Bo Thomsen
|Nov 27, 2024
Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water.Bo Thomsen, Yuki Nagai, Keita Kobayashi
|Sep 12, 2022
Path integral Brownian chain molecular dynamics: A simple approximation of quantum vibrational dynamics.Motoyuki Shiga
|May 03, 2022
Structures of liquid and aqueous water isotopologues at ambient temperature from ab initio path integral simulations.Bo Thomsen, Motoyuki Shiga
|Aug 16, 2021
Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes.Asit Pal, Subhendu Pal, Shivani Verma
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Frequent Collaborators
4 joint publications
Bo Thomsen
2 joint publications
Takehiko Sasaki
1 joint publications
Jordi Ribas-Ariño
1 joint publications
Nisanth N Nair
1 joint publications
Yuki Nagai
1 joint publications
Keita Kobayashi
1 joint publications
Ikutaro Hamada
1 joint publications
Hajime Kimizuka
1 joint publications
Shigenobu Ogata
1 joint publications
Jan Elsner
