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Physical Review Letters|March 14, 2020
Bouncing off the Walls: The Influence of Gas-Kinetic and van der Waals Effects in Drop ImpactMykyta V Chubynsky, Kirill I Belousov, Duncan A Lockerby, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 25, 2004
Velocity boundary condition at solid walls in rarefied gas calculationsDuncan A Lockerby, Jason M Reese, David R Emerson, et al.The Journal of Chemical Physics|March 10, 2019
A preconditioning scheme for minimum energy path finding methodsStela Makri, Christoph Ortner, James R KermodeThe Journal of Chemical Physics|October 22, 2020
Sensitivity and dimensionality of atomic environment representations used for machine learning interatomic potentialsBerk Onat, Christoph Ortner, James R KermodePhysical Review Letters|March 21, 2015
Molecular dynamics with on-the-fly machine learning of quantum-mechanical forcesZhenwei Li, James R Kermode, Alessandro De VitaNpj Computational Materials|March 16, 2026
Efficient and accurate spatial mixing of machine learned interatomic potentials for materials scienceFraser Birks, Matthew Nutter, Thomas D Swinburne, et al.Npj Computational Materials|April 29, 2026
Equivariant electronic Hamiltonian prediction with many-body message passingChen Qian, Valdas Vitartas, James R Kermode, et al.Physical Chemistry Chemical Physics : PCCP|June 20, 2020
Correction: Atomistic QM/MM simulations of the strength of covalent interfaces in carbon nanotube-polymer compositesJacek R Gołębiowski, James R Kermode, Peter D Haynes, et al.Physical Review Letters|April 8, 2014
Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystalsAnna Gleizer, Giovanni Peralta, James R Kermode, et al.Pageof 5