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List of works by James Kermode

A first principles based polarizable O(N) interatomic force field for bulk silica.

scientific article published in September 2010

A preconditioning scheme for minimum energy path finding methods

scientific article published on 01 March 2019

A universal preconditioner for simulating condensed phase materials ⬇️

scientific article

Accuracy of buffered-force QM/MM simulations of silica

scientific article published on 01 February 2015

Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals.

scientific article published on 18 March 2014

Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models

scientific article published in 2022

In situ stable crack growth at the micron scale

scientific article published on 24 July 2017

Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane.

scientific article published on 23 September 2015

Machine learning unifies the modeling of materials and molecules.

scientific article published on 13 December 2017

Macroscopic scattering of cracks initiated at single impurity atoms.

scientific article

Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces

scientific article published on 6 March 2015

Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentials

scientific article published on 01 October 2020

The atomic simulation environment-a Python library for working with atoms.

scientific article

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

scientific article

f90wrap: an automated tool for constructing deep Python interfaces to modern Fortran codes

scientific article published on 24 March 2020

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