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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
3710*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
9272009
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
8402015
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
5762020
Computational aspects of many-body potentials
SJ Plimpton, AP Thompson
MRS bulletin 37 (5), 513-521, 2012
3682012
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
3252010
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
2782008
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
2652006
Extending the accuracy of the SNAP interatomic potential form
MA Wood, AP Thompson
The Journal of chemical physics 148 (24), 2018
1792018
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
1422010
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
1402009
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
1382009
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
1312009
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
1182010
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
1122021
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
1122018
Topology of cyclo-octane energy landscape
S Martin, A Thompson, EA Coutsias, JP Watson
The journal of chemical physics 132 (23), 2010
1002010
Topology of cyclo-octane energy landscape
S Martin, A Thompson, EA Coutsias, JP Watson
The journal of chemical physics 132 (23), 2010
1002010
Direct molecular simulation of gradient-driven diffusion
AP Thompson, DM Ford, GS Heffelfinger
The Journal of chemical physics 109 (15), 6406-6414, 1998
1001998
Direct molecular simulation of gradient-driven diffusion
AP Thompson, DM Ford, GS Heffelfinger
The Journal of chemical physics 109 (15), 6406-6414, 1998
1001998
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