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Motoyuki Shiga

9PUBLICATIONS

11CO-AUTHORS

Surface water hydrologyCondensed matter modelling and density functional theoryComputational chemistryReaction kinetics and dynamicsStochastic analysis and modelling

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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

<i>Ab initio</i>path-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 <i>ab initio</i> 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

Frequent Collaborators

4 joint publications

Bo Thomsen

2 joint publications

Takehiko Sasaki

1 joint publications

Jordi Ribas-Ariño

1 joint publications

Nisanth N Nair

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