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Raymond C. Clay III
Raymond C. Clay III
Подтвержден адрес электронной почты в домене sandia.gov
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Процитировано
Год
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
1862018
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
1322015
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), 070501, 2020
902020
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
882014
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
702016
First principles methods: A perspective from quantum Monte Carlo
MA Morales, R Clay, C Pierleoni, DM Ceperley
Entropy 16 (1), 287-321, 2013
392013
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
382016
Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo
RC Clay III, MA Morales
The Journal of Chemical Physics 142 (23), 234103, 2015
222015
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
192018
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
102017
Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas
LJ Stanek, RC Clay III, MWC Dharma-Wardana, MA Wood, KRC Beckwith, ...
Physics of Plasmas 28 (3), 032706, 2021
92021
Toward quantum Monte Carlo forces on heavier ions: Scaling properties
J Tiihonen, RC Clay III, JT Krogel
The Journal of Chemical Physics 154 (20), 204111, 2021
72021
Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory
RC Clay III, MP Desjarlais, L Shulenburger
Physical Review B 100 (7), 075103, 2019
72019
Starting-point-independent quantum Monte Carlo calculations of iron oxide
JP Townsend, SDP Flores, RC Clay III, TR Mattsson, E Neuscamman, ...
Physical Review B 102 (15), 155151, 2020
42020
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
22019
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
12021
Towards QMCPACK Performance Portability.
P Kent, P Doak, J Krogel, RC Clay III, CA Melton, L Shulenburger, ...
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2021
2021
Efficacy of the radial pair potential approximation for molecular dynamics simulations in warm dense plasmas.
LJ Stanek, RC Clay III, MWC Dharma-wardana, M Wood, K Beckwith, ...
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2021
2021
Prospects and Scaling Properties of Quantum Monte Carlo Forces for Heavier Ions
J Tiihonen, R Clay, J Krogel
APS March Meeting Abstracts 2021, F22. 004, 2021
2021
Effective Pair Potentials for Dense Plasma Applications
LJ Stanek, MS Murillo, RC Clay
2020 IEEE International Conference on Plasma Science (ICOPS), 536-536, 2020
2020
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