| 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 | 4775 | 2022 |
| Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ... Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013 | 300 | 2013 |
| Charge-optimized many-body potential for the hafnium/hafnium oxide system TR Shan, BD Devine, TW Kemper, SB Sinnott, SR Phillpot Physical Review B—Condensed Matter and Materials Physics 81 (12), 125328, 2010 | 194 | 2010 |
| Second-generation charge-optimized many-body potential for and amorphous silica TR Shan, BD Devine, JM Hawkins, A Asthagiri, SR Phillpot, SB Sinnott Physical Review B—Condensed Matter and Materials Physics 82 (23), 235302, 2010 | 154 | 2010 |
| Atomistic simulations of copper oxidation and Cu/CuO interfaces using charge-optimized many-body potentials B Devine, TR Shan, YT Cheng, AJH McGaughey, M Lee, SR Phillpot, ... Physical Review B—Condensed Matter and Materials Physics 84 (12), 125308, 2011 | 92 | 2011 |
| Atomistic simulation of orientation dependence in shock-induced initiation of pentaerythritol tetranitrate TR Shan, RR Wixom, AE Mattsson, AP Thompson The Journal of Physical Chemistry B 117 (3), 928-936, 2013 | 73 | 2013 |
| Variable charge many-body interatomic potentials YK Shin, TR Shan, T Liang, MJ Noordhoek, SB Sinnott, ACT Van Duin, ... MRS bulletin 37 (5), 504-512, 2012 | 71 | 2012 |
| Molecular dynamics study of the adhesion of Cu/SiO interfaces using a variable-charge interatomic potential TR Shan, BD Devine, SR Phillpot, SB Sinnott Physical Review B—Condensed Matter and Materials Physics 83 (11), 115327, 2011 | 71 | 2011 |
| Study of micro-droplet behavior for a piezoelectric inkjet printing device using a single pulse voltage pattern HC Wu, TR Shan, WS Hwang, HJ Lin Materials transactions 45 (5), 1794-1801, 2004 | 52 | 2004 |
| A charge optimized many-body (comb) potential for titanium and titania YT Cheng, TR Shan, T Liang, RK Behera, SR Phillpot, SB Sinnott Journal of Physics: Condensed Matter 26 (31), 315007, 2014 | 48 | 2014 |
| Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive TR Shan, RR Wixom, AP Thompson Physical Review B 94 (5), 054308, 2016 | 44 | 2016 |
| Shock-induced hotspot formation and chemical reaction initiation in PETN containing a spherical void TR Shan, AP Thompson Journal of Physics: Conference Series 500 (17), 172009, 2014 | 44 | 2014 |
| Reparameterization of the REBO-CHO potential for graphene oxide molecular dynamics simulations AF Fonseca, G Lee, TL Borders, H Zhang, TW Kemper, TR Shan, ... Physical Review B—Condensed Matter and Materials Physics 84 (7), 075460, 2011 | 43 | 2011 |
| Classical interatomic potential for orthorhombic uranium Y Li, TR Shan, T Liang, SB Sinnott, SR Phillpot Journal of Physics: Condensed Matter 24 (23), 235403, 2012 | 40 | 2012 |
| Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition TR Shan, ACT Van Duin, AP Thompson The Journal of Physical Chemistry A 118 (8), 1469-1478, 2014 | 37 | 2014 |
| Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials YT Cheng, TR Shan, B Devine, D Lee, T Liang, BB Hinojosa, SR Phillpot, ... Surface science 606 (15-16), 1280-1288, 2012 | 35 | 2012 |
| Charge-optimized many-body (COMB) potential for zirconium MJ Noordhoek, T Liang, Z Lu, TR Shan, SB Sinnott, SR Phillpot Journal of nuclear materials 441 (1-3), 274-279, 2013 | 31 | 2013 |
| Optimizing the performance of reactive molecular dynamics simulations for many-core architectures HM Aktulga, C Knight, P Coffman, KA O’Hearn, TR Shan, W Jiang The International Journal of High Performance Computing Applications 33 (2 …, 2019 | 30 | 2019 |
| The effects of operating parameters on micro-droplet formation in a piezoelectric inkjet printhead using a double pulse voltage pattern HJ Lin, HC Wu, TR Shan, WS Hwang Materials transactions 47 (2), 375-382, 2006 | 19 | 2006 |
| Modification of poly (methyl methacrylate) by keV Ar deposition YT Su, TR Shan, SB Sinnott Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2009 | 12 | 2009 |
Aidan ThompsonSandia National LaboratoriesVerified email at sandia.gov
