| 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 | 3524 | 2022 |
| Direct simulation Monte Carlo on petaflop supercomputers and beyond SJ Plimpton, SG Moore, A Borner, AK Stagg, TP Koehler, JR Torczynski, ... Physics of Fluids 31 (8), 2019 | 238 | 2019 |
| Characteristics of thermal conductivity in classical water models TW Sirk, S Moore, EF Brown The Journal of chemical physics 138 (6), 2013 | 176 | 2013 |
| Recent advances for improving the accuracy, transferability, and efficiency of reactive force fields I Leven, H Hao, S Tan, X Guan, KA Penrod, D Akbarian, B Evangelisti, ... Journal of chemical theory and computation 17 (6), 3237-3251, 2021 | 54 | 2021 |
| Improved implementation of Kirkwood-Buff solution theory in periodic molecular simulations JW Nichols, SG Moore, DR Wheeler Physical Review E 80 (5), 051203, 2009 | 34 | 2009 |
| Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales K Nguyen-Cong, JT Willman, SG Moore, AB Belonoshko, R Gayatri, ... Proceedings of the International Conference for High Performance Computing …, 2021 | 29 | 2021 |
| Enabling particle applications for exascale computing platforms SM Mniszewski, J Belak, JL Fattebert, CFA Negre, SR Slattery, ... The International Journal of High Performance Computing Applications 35 (6 …, 2021 | 29 | 2021 |
| EMPIRE-PIC: a performance portable unstructured particle-in-cell code MT Bettencourt, DAS Brown, KL Cartwright, EC Cyr, CA Glusa, PT Lin, ... Communications in Computational Physics 30 (SAND-2021-2806J), 2021 | 28 | 2021 |
| LAMMPS documentation S Plimpton, A Thompson, S Moore, A Kohlmeyer Sandia National Laboratories (January 2016), 2006 | 26 | 2006 |
| Machine learning interatomic potential for simulations of carbon at extreme conditions JT Willman, K Nguyen-Cong, AS Williams, AB Belonoshko, SG Moore, ... Physical Review B 106 (18), L180101, 2022 | 23 | 2022 |
| Liquid-vapor interface of the Stockmayer fluid in a uniform external field SG Moore, MJ Stevens, GS Grest Physical Review E 91 (2), 022309, 2015 | 23 | 2015 |
| Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale TI Mattox, JP Larentzos, SG Moore, CP Stone, DA Ibanez, AP Thompson, ... Molecular Physics 116 (15-16), 2061-2069, 2018 | 16 | 2018 |
| Chemical potential perturbation: A method to predict chemical potentials in periodic molecular simulations SG Moore, DR Wheeler The Journal of chemical physics 134 (11), 2011 | 15 | 2011 |
| Water in an external electric field: comparing charge distribution methods using ReaxFF simulations JP Koski, SG Moore, RC Clay, KA O’Hearn, HM Aktulga, MA Wilson, ... Journal of Chemical Theory and Computation 18 (1), 580-594, 2021 | 11 | 2021 |
| Rapid exploration of optimization strategies on advanced architectures using testsnap and lammps R Gayatri, S Moore, E Weinberg, N Lubbers, S Anderson, J Deslippe, ... arXiv preprint arXiv:2011.12875, 2020 | 11 | 2020 |
| Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations SG Moore, PS Crozier The Journal of Chemical Physics 140 (23), 2014 | 11 | 2014 |
| Cabana: A performance portable library for particle-based simulations S Slattery, ST Reeve, C Junghans, D Lebrun-Grandié, R Bird, G Chen, ... Journal of Open Source Software 7 (72), 4115, 2022 | 10 | 2022 |
| Chemical potential perturbation: Extension of the method to lattice sum treatment of intermolecular potentials SG Moore, DR Wheeler The Journal of Chemical Physics 136 (16), 2012 | 10 | 2012 |
| Lammps stable release 29 October 2020 S Plimpton, A Kohlmeyer, A Thompson, S Moore, R Berger Zenodo. https://doi. org/10.5281/zenodo 4157471, 2020 | 9 | 2020 |
| Effect of an external field on capillary waves in a dipolar fluid JP Koski, SG Moore, GS Grest, MJ Stevens Physical Review E 96 (6), 063106, 2017 | 6 | 2017 |
