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Aidan Thompson
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LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ...
Computer Physics Communications 271, 108171, 2022
4581*2022
General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions
AP Thompson, SJ Plimpton, W Mattson
The Journal of chemical physics 131 (15), 2009
9572009
Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
AP Thompson, LP Swiler, CR Trott, SM Foiles, GJ Tucker
Journal of Computational Physics 285, 316-330, 2015
8982015
Performance and cost assessment of machine learning interatomic potentials
Y Zuo, C Chen, X Li, Z Deng, Y Chen, J Behler, G Csányi, AV Shapeev, ...
The Journal of Physical Chemistry A 124 (4), 731-745, 2020
6252020
Computational aspects of many-body potentials
SJ Plimpton, AP Thompson
MRS bulletin 37 (5), 513-521, 2012
3872012
First-principles and classical molecular dynamics simulation of shocked polymers
TR Mattsson, JMD Lane, KR Cochrane, MP Desjarlais, AP Thompson, ...
Physical Review B—Condensed Matter and Materials Physics 81 (5), 054103, 2010
3312010
A constant-time kinetic Monte Carlo algorithm for simulation of large biochemical reaction networks
A Slepoy, AP Thompson, SJ Plimpton
The journal of chemical physics 128 (20), 2008
2842008
PJ in’t Veld, A. Kohlmeyer, SG Moore, TD Nguyen, et al., LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ...
Comput. Phys. Commun 271, 108171, 2022
2752022
Electronic structure of intrinsic defects in crystalline germanium telluride
AH Edwards, AC Pineda, PA Schultz, MG Martin, AP Thompson, ...
Physical Review B—Condensed Matter and Materials Physics 73 (4), 045210, 2006
2672006
Extending the accuracy of the SNAP interatomic potential form
MA Wood, AP Thompson
The Journal of chemical physics 148 (24), 2018
1902018
1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations
A Henry, G Chen, SJ Plimpton, A Thompson
Physical Review B—Condensed Matter and Materials Physics 82 (14), 144308, 2010
1472010
Reactive molecular dynamics simulations of shock through a single crystal of pentaerythritol tetranitrate
J Budzien, AP Thompson, SV Zybin
The Journal of Physical Chemistry B 113 (40), 13142-13151, 2009
1432009
Crossing the mesoscale no-man’s land via parallel kinetic Monte Carlo
S Plimpton, C Battaile, M Chandross, L Holm, A Thompson, V Tikare, ...
Sandia Report SAND2009-6226 1, 2009
1402009
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ...
npj computational materials 7 (1), 97, 2021
1282021
Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics
J Tranchida, SJ Plimpton, P Thibaudeau, AP Thompson
Journal of Computational Physics 372, 406-425, 2018
1242018
Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations
SV Zybin, WA Goddard, P Xu, ACT Van Duin, AP Thompson
Applied Physics Letters 96 (8), 2010
1212010
Multiscale modeling of shock wave localization in porous energetic material
MA Wood, DE Kittell, CD Yarrington, AP Thompson
Physical Review B 97 (1), 014109, 2018
1032018
Direct molecular simulation of gradient-driven diffusion
AP Thompson, DM Ford, GS Heffelfinger
The Journal of chemical physics 109 (15), 6406-6414, 1998
1011998
Topology of cyclo-octane energy landscape
S Martin, A Thompson, EA Coutsias, JP Watson
The journal of chemical physics 132 (23), 2010
1002010
Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore
AP Thompson
The Journal of chemical physics 119 (14), 7503-7511, 2003
982003
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Articles 1–20