Aidan Thompson
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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), 154107, 2009
5352009
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
3002015
First-principles and classical molecular dynamics simulation of shocked polymers
TR Mattsson, JMD Lane, KR Cochrane, MP Desjarlais, AP Thompson, ...
Physical Review B 81 (5), 054103, 2010
2312010
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), 05B618, 2008
2282008
Computational aspects of many-body potentials
SJ Plimpton, AP Thompson
MRS bulletin 37 (5), 513-521, 2012
2202012
Electronic structure of intrinsic defects in crystalline germanium telluride
AH Edwards, AC Pineda, PA Schultz, MG Martin, AP Thompson, ...
Physical Review B 73 (4), 045210, 2006
2112006
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
1182020
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
1152009
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 82 (14), 144308, 2010
1112010
Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations
SV Zybin, WA Goddard III, P Xu, ACT Van Duin, AP Thompson
Applied Physics Letters 96 (8), 081918, 2010
982010
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
912009
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
912009
Direct molecular simulation of gradient-driven diffusion
AP Thompson, DM Ford, GS Heffelfinger
The Journal of chemical physics 109 (15), 6406-6414, 1998
861998
Direct molecular simulation of gradient-driven diffusion
AP Thompson, DM Ford, GS Heffelfinger
The Journal of chemical physics 109 (15), 6406-6414, 1998
861998
Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore
AP Thompson
The Journal of chemical physics 119 (14), 7503-7511, 2003
822003
Effect of pressure, membrane thickness, and placement of control volumes on the flux of methane through thin silicalite membranes: A dual control volume grand canonical …
MG Martin, AP Thompson, TM Nenoff
The Journal of Chemical Physics 114 (16), 7174-7181, 2001
822001
Topology of cyclo-octane energy landscape
S Martin, A Thompson, EA Coutsias, JP Watson
The journal of chemical physics 132 (23), 234115, 2010
692010
Topology of cyclo-octane energy landscape
S Martin, A Thompson, EA Coutsias, JP Watson
The journal of chemical physics 132 (23), 234115, 2010
692010
Industrial property prediction using Towhee and LAMMPS
MG Martin, AP Thompson
Fluid phase equilibria 217 (1), 105-110, 2004
682004
Effect of strain history on stress and permanent set in cross-linking networks: A molecular dynamics study
DR Rottach, JG Curro, GS Grest, AP Thompson
Macromolecules 37 (14), 5468-5473, 2004
662004
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