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
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
552014
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
532015
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
432018
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
342016
First principles methods: A perspective from quantum Monte Carlo
M Morales, R Clay, C Pierleoni, D Ceperley
Entropy 16 (1), 287-321, 2014
282014
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
242016
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
142015
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
52018
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
32017
Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory
RC Clay III, MP Desjarlais, L Shulenburger
Physical Review B 100 (7), 075103, 2019
2019
Precompressed Hugoniots of Hydrogen-Helium Mixtures from Density Functional Theory
R Clay
Bulletin of the American Physical Society, 2019
2019
Towards a systematically improvable many-body description of antiferromagnetic iron oxide
JP Townsend, RC Clay III, TR Mattsson, E Neuscamman, L Zhao, K Esler, ...
arXiv preprint arXiv:1806.01383, 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 Meeting Abstracts, 2018
2018
Anharmonicity in Equation of State Calculations: A Cross-Validation Study
R Clay, L Shulenburger, M Desjarlais
APS Meeting Abstracts, 2018
2018
Examination of the High Pressure Phase Diagram of Solid Aluminum
L Shulenburger, J Townsend, R Clay
APS Meeting Abstracts, 2018
2018
Feasibility of Current QMCPACK Forces for Molecular Dynamics.
RC Clay III
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2017
2017
Embracing a new era of highly efficient and productive quantum Monte Carlo simulations.
RC Clay III, L Shulenburger, AD Baczewski
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2017
2017
Theory applied to Warm Dense Matter.
L Shulenburger
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2017
2017
Quantifying Ab Initio Equation of State Errors for Hydrogen-Helium Mixtures
R Clay, M Morales
APS Shock Compression of Condensed Matter Meeting Abstracts, 2017
2017
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