James R Kermode

7PUBLICATIONS
108CO-AUTHORS
Computational chemistryTheoretical quantum chemistryFormal methods for softwareNumerical solution of differential and integral equationsEvolutionary computation
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Publications (7)

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Aug 14, 2024
Uncertainty quantification in atomistic simulations of silicon using interatomic potentials.

I R Best, T J Sullivan, J R Kermode

|Jul 03, 2024
Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations.

Pavel Stishenko, Adam McSloy, Berk Onat

|Nov 06, 2023
Gaussian approximation potentials: Theory, software implementation and application examples.

Sascha Klawohn, James P Darby, James R Kermode

|Oct 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.

William C Witt, Cas van der Oord, Elena Gelžinytė

|Jul 02, 2019
Understanding and mitigating hydrogen embrittlement of steels: a review of experimental, modelling and design progress from atomistic to continuum.

O Barrera, D Bombac, Y Chen

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Frequent Collaborators

4 joint publications

Gábor Csányi

3 joint publications

James P Darby

2 joint publications

Cheuk Hin Ho

2 joint publications

Sandip De