Kohei Shimmura

14PUBLICATIONS
34CO-AUTHORS
Theoretical quantum chemistryNanoelectronicsCatalysis and mechanisms of reactionsMolecular imaging (incl. electron microscopy and neutron diffraction)Aerospace materials
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Publications (14)

|Jul 02, 2026
Chemical intuition on bond-dissociation energies as an emergent ability of universal machine-learning interatomic potentials.

|Mar 26, 2026
High-temperature memristors enabled by interfacial engineering.

Jian Zhao, Cameron S Jorgensen, Krishnamurthy Mahalingam

|Sep 11, 2025
Photochemistry and Thermal Chemistry in Polymeric Ceramic Precursors.

Nabankur Dasgupta, Kai Ito, Thomas M Linker

|Aug 29, 2025
Photoinduced Phase Transition of Diamond: A Nonadiabatic Quantum Molecular Dynamics Study.

Shogo Fukushima, Nabankur Dasgupta, Rajiv K Kalia

|Jun 20, 2025
Allegro-FM: Toward an Equivariant Foundation Model for Exascale Molecular Dynamics Simulations.

Ken-Ichi Nomura, Shinnosuke Hattori, Satoshi Ohmura

|Nov 08, 2024
Phase behavior and atomic dynamics in Rb<sub></sub>Na<sub>1-</sub>: insights from machine learning interatomic potentials based on<i>ab initio</i>molecular dynamics.

A Irie, A Koura, K Shimamura

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Frequent Collaborators

12 joint publications

Aiichiro Nakano

12 joint publications

Priya Vashishta

6 joint publications

Fuyuki Shimojo

3 joint publications

Subodh Tiwari