Materials Genome Initiative: Quantum Monte Carlo for Many-Body Systems

(bbak)
Jan 2021 - Dec 2021

Materials Genome Initiative: Quantum Monte Carlo for Many-Body Systems

(jq4)
Feb 2019 - Dec 2019

Vitaly Gorelov, Markus Holzmann, David M. Ceperley, and Carlo Pierleoni (2020): Energy gap closure of crystalline molecular hydrogen with pressure, Physical Review Letters, American Physical Society, Vol 124, Num 11, pp116401

Yubo Yang, Vitaly Gorelov, Carlo Pierleoni, David M. Ceperley, and Markus Holzmann (2020): Electronic band gaps from Quantum Monte Carlo methods, Physical Review B, American Physical Society, Vol 101, Num 8, pp085115

N. Hiraoka, Y. Yang, T. Hagiya, A. Niozu, K. Matsuda, S. Huotari, M. Holzmann, and D. M. Ceperley (2020): Direct observation of the momentum distribution and renormalization factor in lithium, Physical Review B, American Physical Society, Vol 101, Num 16, pp165124

Yubo Yang, Nozomu Hiraoka, Kazuhiro Matsuda, Markus Holzmann, and David M. Ceperley (2020): Quantum Monte Carlo Compton profiles of solid and liquid lithium, Physical Review B, American Physical Society, Vol 101, Num 16, pp165125

Michele Ruggeri, Markus Holzmann, David M. Ceperley, and Carlo Pierleoni (2020): Quantum Monte Carlo determination of the principal Hugoniot of deuterium, Physical Review B, American Physical Society, Vol 102, Num 14, pp144108

Giovanni Rillo, Miguel A. Morales, David M. Ceperley, and Carlo Pierleoni (2019): Optical properties of high-pressure fluid hydrogen across molecular dissociation, Proceedings of the National Academy of Sciences, The National Academy of Sciences, Vol 116, Num 20, pp9770-9774

Vitaly Gorelov, Carlo Pierleoni, and David M. Ceperley (2019): Benchmarking vdW‐DF first‐principles predictions against Coupled Electron–Ion Monte Carlo for high‐pressure liquid hydrogen, Contributions to Plasma Physics, Wiley-VCH Verlag GmbH & Co, Vol 59, Num 4-5, ppe201800185

Giovanni Rillo, Miguel A. Morales, David M. Ceperley, and Carlo Pierleoni (2018): Coupled Electron-Ion Monte Carlo Simulation of Hydrogen Molecular Crystals, Journal of Chemical Physics, AIP Publishing, Vol 148, Num 10, pp102314

Carlo Pierleoni, Markus Holzmann, and David M. Ceperley (2018): Local Structure in Dense Hydrogen at the Liquid-Liquid Phase Transition by Coupled Electron-Ion Monte Carlo, Contributions to Plasma Physics, Wiley-Blackwell, Vol 58, Num 2-3, pp99-106

Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet, Anouar Benali, M. Chandler Bennett, Mark A. Berrill, Nick S. Blunt, Edgar Josue Landinez Borda, Michele Casula, David M. Ceperley, Simone Chiesa, Bryan K. Clark, Raymond C. Clay III, Kris T. Delaney, Mark Dewing, Kenneth P. Esler, Hongxia Hao, Olle Heinonen, Paul R. C. Kent, Jaron T. Krogel, Ilkka Kylanpaa, Ying Wai Li, M. Graham Lopez, Ye Luo, Fionn D. Malone, Richard M. Martin, Amrita Mathuriya, Jeremy McMinis, Cody A. Melton, Lubos Mitas, Miguel A. Morales, Eric Neuscamman, William D. Parker, Sergio D. Pineda Flores, Nichols A. Romero, Brenda M. Rubenstein, Jacqueline A. R. Shea, Hyeondeok Shin, Luke Shulenburger, Andreas Tillack, Joshua P. Townsend, Norm M. Tubman, Brett Van Der Goetz, Jordan E. Vincent, D. ChangMo Yang, Yubo Yang, Shuai Zhang, and Luning Zhao (2018): QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids, Journal of Physics: Condensed Matter, IOP Publishing Ltd., Vol 30, Num 19, pp195901

Carlo Pierleoni, Giovanni Rillo, David M. Ceperley, and Markus Holzmann (2018): Electron localization properties in high pressure hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo, IOP Publishing Ltd, Journal of Physics: Conference Series (XXIXth IUPAP Conference on Computational Physics, CCP2017), Vol 1136, Num 1, pp012005, Paris, France

Markus Holzmann, Raymond C. Clay, Miguel A. Morales, Norm M. Tubman, David M. Ceperley, and Carlo Pierleoni (2016): Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids, Physical Review B, American Physical Society, Vol 94, Num 3, pp035126

Carlo Pierleoni, Miguel A. Morales, Giovanni Rillo, Markus Holzmann, and David M. Ceperley (2016): Liquid-Liquid Phase Transition in Hydrogen by Coupled Electron-Ion Monte Carlo Simulations, Proceedings of the National Academy of Sciences, National Academy of Sciences, Vol 113, Num 18, pp4953-4957

Kenneth Esler, Jeongnim Kim, David Ceperley, and Luke Shulenburger (2012): Accelerating Quantum Monte Carlo Simulations of Real Materials on GPU Clusters, Computing in Science & Engineering, Institute of Electrical & Electronics Engineers, Vol 14, Num 1, pp40-51

Jeongnim Kim, Kenneth P. Esler, Jeremy McMinis, Miguel A. Morales, Bryan K. Clark, Luke Shulenburger, and David M. Ceperley (2012): Hybrid Algorithms in Quantum Monte Carlo, IOP Publishing, Journal of Physics: Conference Series (IUPAP C20 Conference on Computational Physics, CCP 2011), Vol 402, pp012008, Gatlinburg, Tennessee, U.S.A.

David Ceperley, Carlo Pierleoni (2019): Quantum Simulations: Properties of Dense Hydrogen, 2019 Blue Waters Annual Report, pp136-137

David Ceperley, Carlo Pierleoni, Marcus Holzmann, Yubo Yang (2018): Properties of Dense Hydrogen, 2018 Blue Waters Annual Report, pp142-143

David Ceperley (2017): Properties of Dense Hydrogen, 2017 Blue Waters Annual Report, pp114-115

David Ceperley (2016): The Liquid-Liquid Transition in Dense Hydrogen, 2016 Blue Waters Annual Report, pp104-105

David Ceperley (2015): Hydrogen under Extreme Conditions, 2015 Blue Waters Annual Report, pp76-77

David Ceperley: Phase Transitions in Dense Hydrogen

Blue Waters Symposium 2019, Jun 3, 2019

Carlo Pierleoni, D.M. Ceperley, M. Holzmann, and M.A. Morales: Coupled Electron-Ion Monte Carlo study of hydrogen under extreme conditions

FisMat 2017, the Italian National Conference on the Physics of Matter; Trieste, Italy, Oct 2, 2017

Carlo Pierleoni: Coupled Electron-Ion Monte Carlo Study of Hydrogen under Extreme Conditions

Abdus Salam International Centre for Theoretical Physics (ICTP) workshop on Understanding Quantum Phenomena with Path Integrals: From Chemical Systems to Quantum fluids and Solids; Trieste, Italy, Jul 3, 2017

David Ceperley and M. Holzmann: How do projector Quantum Monte Carlo method behave in the thermodynamic limit?

CECAM workshop on Exploiting finite-size effects in simulations; Université Pierre et Marie Curie, Paris, France, Apr 21, 2017

David Ceperley, C. Pierleoni, M. Holzmann, and M. Morales: The liquid-liquid phase transition in dense hydrogen

American Physical Society (APS) March Meeting 2017; New Orleans, Louisiana, U.S.A., Mar 13, 2017

David Ceperley: Hydrogen under Extreme Conditions

Blue Waters Symposium 2016, Jun 15, 2016