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Raymond C. Clay III
Raymond C. Clay III
Sandia National Laboratories
E-mail confirmado em sandia.gov
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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
3342018
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
2452020
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
1862015
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
1162016
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
1072014
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
542016
First principles methods: A perspective from quantum Monte Carlo
MA Morales, R Clay, C Pierleoni, DM Ceperley
Entropy 16 (1), 287-321, 2013
532013
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
292018
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
262015
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
222021
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
202024
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
192021
Toward quantum Monte Carlo forces on heavier ions: Scaling properties
J Tiihonen, RC Clay, JT Krogel
The Journal of Chemical Physics 154 (20), 2021
142021
Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory
RC Clay III, MP Desjarlais, L Shulenburger
Physical Review B 100 (7), 075103, 2019
132019
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
122017
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
72024
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
72020
Experimental validation of dense plasma transport models using the z-machine
P Knapp, K Beckwith, K Cochrane, RC Clay, T Mattsson
Technical Report No. SAND2019-13007, 2019
5*2019
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
22023
Extreme compression of planetary gases: High-accuracy pressure-density measurements of hydrogen-helium mixtures above fourfold compression
S Duwal, RC Clay Iii, MD Knudson, J Boerner, K Cochrane, J Usher, ...
Physical Review B 109 (10), 104102, 2024
12024
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