| 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 | 4131* | 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 | 937 | 2009 |
| 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 | 871 | 2015 |
| 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 | 595 | 2020 |
| Computational aspects of many-body potentials SJ Plimpton, AP Thompson MRS bulletin 37 (5), 513-521, 2012 | 377 | 2012 |
| 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 | 328 | 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 | 281 | 2008 |
| 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 | 267 | 2006 |
| Extending the accuracy of the SNAP interatomic potential form MA Wood, AP Thompson The Journal of chemical physics 148 (24), 2018 | 184 | 2018 |
| 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 | 145 | 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 | 142 | 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 | 138 | 2009 |
| 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 | 119 | 2021 |
| 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 | 119 | 2010 |
| 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 | 117 | 2018 |
| 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 | 101 | 2018 |
| Topology of cyclo-octane energy landscape S Martin, A Thompson, EA Coutsias, JP Watson The journal of chemical physics 132 (23), 2010 | 101 | 2010 |
| Direct molecular simulation of gradient-driven diffusion AP Thompson, DM Ford, GS Heffelfinger The Journal of chemical physics 109 (15), 6406-6414, 1998 | 100 | 1998 |
| Pieter J. in’t Veld, Axel Kohlmeyer, Stan G AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ... Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida …, 2022 | 97 | 2022 |
| Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore AP Thompson The Journal of chemical physics 119 (14), 7503-7511, 2003 | 93 | 2003 |
Mitchell A. WoodSandia National Labs在 sandia.gov 的電子郵件地址已通過驗證
