| 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 | 6562* | 2022 |
| 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 | 1049 | 2015 |
| 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 | 1021 | 2009 |
| 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 | 756 | 2020 |
| Computational aspects of many-body potentials SJ Plimpton, AP Thompson MRS bulletin 37 (5), 513-521, 2012 | 402 | 2012 |
| 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 | 401 | 2022 |
| 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 | 351 | 2010 |
| 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 | 290 | 2008 |
| 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 | 276 | 2006 |
| Extending the accuracy of the SNAP interatomic potential form MA Wood, AP Thompson The Journal of chemical physics 148 (24), 2018 | 232 | 2018 |
| 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 | 172 | 2021 |
| 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 | 150 | 2010 |
| 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 | 148 | 2009 |
| 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 | 144 | 2009 |
| 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 | 138 | 2018 |
| 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 | 123 | 2010 |
| 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 | 118 | 2018 |
| Topology of cyclo-octane energy landscape S Martin, A Thompson, EA Coutsias, JP Watson The journal of chemical physics 132 (23), 2010 | 107 | 2010 |
| Direct molecular simulation of gradient-driven diffusion AP Thompson, DM Ford, GS Heffelfinger The Journal of chemical physics 109 (15), 6406-6414, 1998 | 103 | 1998 |
| Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore AP Thompson The Journal of chemical physics 119 (14), 7503-7511, 2003 | 99 | 2003 |
Mitchell A. WoodSandia National LabsVerified email at sandia.gov