| 1 |
Performance and Cost Assessment of Machine Learning Interatomic Potentials
Zuo YX, Chen C, Li XG, Deng Z, Chen YM, Behler J, Csanyi G, Shapeev AV, Thompson AP, Wood MA, Ong SP
Journal of Physical Chemistry A, 124(4), 731, 2020 |
| 2 |
Explicit Multielement Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems
Cusentino MA, Wood MA, Thompson AP
Journal of Physical Chemistry A, 124(26), 5456, 2020 |
| 3 |
Development of a ReaxFF Reactive Force Field for Ammonium Nitrate and Application to Shock Compression and Thermal Decomposition
Shan TR, van Duin ACT, Thompson AP
Journal of Physical Chemistry A, 118(8), 1469, 2014 |
| 4 |
Atomistic Simulation of Orientation Dependence in Shock-Induced Initiation of Pentaerythritol Tetranitrate
Shan TR, Wixom RR, Mattsson AE, Thompson AP
Journal of Physical Chemistry B, 117(3), 928, 2013 |
| 5 |
Molecular Simulation of the Thermal and Transport Properties of Three Alkali Nitrate Salts
Jayaraman S, Thompson AP, von Lilienfeld OA, Maginn EJ
Industrial & Engineering Chemistry Research, 49(2), 559, 2010 |
| 6 |
Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate
Budzien J, Thompson AP, Zybin SV
Journal of Physical Chemistry B, 113(40), 13142, 2009 |
| 7 |
A New Constitutive Model for the Chemical Aging of Rubber Networks in Deformed States
Budzien J, Rottach DR, Curro JG, Lo CS, Thompson AP
Macromolecules, 41(24), 9896, 2008 |
| 8 |
Industrial property prediction using Towhee and LAMMPS
Martin MG, Thompson AP
Fluid Phase Equilibria, 217(1), 105, 2004 |
| 9 |
Effect of strain history on stress and permanent set in cross-linking networks: A molecular dynamics study
Rottach DR, Curro JG, Grest GS, Thompson AP
Macromolecules, 37(14), 5468, 2004 |
| 10 |
Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore
Thompson AP
Journal of Chemical Physics, 119(14), 7503, 2003 |
