Raymond C. Clay III
Raymond C. Clay III
確認したメール アドレス: sandia.gov
タイトル
引用先
引用先
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
812018
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
722015
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
632014
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
412016
First principles methods: A perspective from quantum Monte Carlo
MA Morales, R Clay, C Pierleoni, DM Ceperley
Entropy 16 (1), 287-321, 2014
302014
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
292016
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
182015
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
82018
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
52017
Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory
RC Clay III, MP Desjarlais, L Shulenburger
Physical Review B 100 (7), 075103, 2019
12019
RuCl3 electronic structure by quantum Monte Carlo
A Annaberdiyev, C Melton, R Clay, L Shulenburger, G Wang, L Mitas
Bulletin of the American Physical Society 65, 2020
2020
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
2019
Precompressed Hugoniots of Hydrogen-Helium Mixtures from Density Functional Theory
R Clay
Bulletin of the American Physical Society 64, 2019
2019
Fast and Accurate Transport Coefficients for Dense Plasma Applications
LJ Stanek, RC Clay III, K Beckwith, L Stanton, MS Murillo
APS 2019, BP10. 106, 2019
2019
Towards a systematically improvable many-body description of antiferromagnetic iron oxide.
JP Townsend, RC Clay III, T Mattsson, L Zhao, E Neuscamman, K Esler, ...
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2018
2018
CMS Thrust 1: SNL Site Update.
RC Clay III, JP Townsend, L Shulenburger
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2018
2018
The Principal Hugoniot of Deuterium: Potential Pitfalls of Beyond-DFT Thermodynamic Sampling.
RC Clay III, RC Clay III, RC Clay III, L Shulenburger, MP Desjarlais
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2018
2018
The Deuterium Hugoniot from Scratch-What Matters in Thermodynamic Sampling with Quantum Monte Carlo
R Clay
APS 2018, QI3. 002, 2018
2018
Anharmonicity in Equation of State Calculations: A Cross-Validation Study
R Clay, L Shulenburger, M Desjarlais
APS 2018, V29. 010, 2018
2018
Examination of the High Pressure Phase Diagram of Solid Aluminum
L Shulenburger, J Townsend, R Clay
APS 2018, P01. 005, 2018
2018
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