| QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 286 | 2018 |
| Review of pulsed power-driven high energy density physics research on Z at Sandia DB Sinars, MA Sweeney, CS Alexander, DJ Ampleford, T Ao, ... Physics of Plasmas 27 (7), 2020 | 196 | 2020 |
| Molecular to Atomic Phase Transition in Hydrogen under High Pressure J McMinis, R Clay, D Lee, M Morales Physical Review Letters 114 (10), 105305, 2015 | 163 | 2015 |
| Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids M Holzmann, RC Clay III, MA Morales, NM Tubman, DM Ceperley, ... Physical Review B 94 (3), 035126, 2016 | 105 | 2016 |
| Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo RC Clay III, J Mcminis, JM McMahon, C Pierleoni, DM Ceperley, ... Physical Review B 89 (18), 184106, 2014 | 99 | 2014 |
| Benchmarking density functionals for hydrogen-helium mixtures with quantum Monte Carlo: Energetics, pressures, and forces RC Clay III, M Holzmann, DM Ceperley, MA Morales Physical Review B 93 (3), 035121, 2016 | 48 | 2016 |
| First principles methods: A perspective from quantum Monte Carlo MA Morales, R Clay, C Pierleoni, DM Ceperley Entropy 16 (1), 287-321, 2013 | 46 | 2013 |
| Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo RC Clay, MA Morales The Journal of Chemical Physics 142 (23), 2015 | 26 | 2015 |
| Phase stability and interlayer interaction of blue phosphorene J Ahn, I Hong, Y Kwon, RC Clay, L Shulenburger, H Shin, A Benali Physical Review B 98 (8), 085429, 2018 | 23 | 2018 |
| Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas LJ Stanek, RC Clay, MWC Dharma-Wardana, MA Wood, KRC Beckwith, ... Physics of Plasmas 28 (3), 2021 | 17 | 2021 |
| 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 | 12 | 2021 |
| Toward quantum Monte Carlo forces on heavier ions: Scaling properties J Tiihonen, RC Clay, JT Krogel The Journal of Chemical Physics 154 (20), 2021 | 12 | 2021 |
| Embracing a new era of highly efficient and productive quantum Monte Carlo simulations A Mathuriya, Y Luo, RC Clay III, A Benali, L Shulenburger, J Kim Proceedings of the International Conference for High Performance Computing …, 2017 | 10 | 2017 |
| Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory RC Clay III, MP Desjarlais, L Shulenburger Physical Review B 100 (7), 075103, 2019 | 9 | 2019 |
| Starting-point-independent quantum Monte Carlo calculations of iron oxide JP Townsend, SD Pineda Flores, RC Clay III, TR Mattsson, ... Physical Review B 102 (15), 155151, 2020 | 7 | 2020 |
| Review of the second charged-particle transport coefficient code comparison workshop LJ Stanek, A Kononov, SB Hansen, BM Haines, SX Hu, PF Knapp, ... Physics of Plasmas 31 (5), 2024 | 6 | 2024 |
| Experimental Validation of Dense Plasma Transport Models using the Z-Machine. P Knapp, K Beckwith, K Cochrane, RC Clay III, T Mattsson Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2019 | 3 | 2019 |
| Transport coefficients of warm dense matter from Kohn-Sham density functional theory CA Melton, RC Clay, KR Cochrane, A Dumi, TA Gardiner, MK Lentz, ... Physics of Plasmas 31 (4), 2024 | 2 | 2024 |
| Accurate equation of state of binary mixtures up to 5.4 GPa CM Zoller, M Ahart, S Duwal, RC Clay III, CT Seagle, YJ Ryu, S Tkachev, ... Physical Review B 108 (22), 224112, 2023 | 1 | 2023 |
| Capturing symmetric correlation for Fermionic systems with a Jastrow factor based on Spectral Neighbor Analysis Potentials A Dumi, R Clay, L Shulenburger Bulletin of the American Physical Society, 2024 | | 2024 |
Miguel A MoralesFlatiron Institute在 flatironinstitute.org 的电子邮件经过验证
