DC
David M. Ceperley
physics.comp-phcond-mat.mtrl-scicond-mat.str-elcond-mat.stat-mechcond-matphysics.chem-phcond-mat.otherquant-phcond-mat.dis-nncond-mat.quant-gas
On Valency
published · living versionsW_2cfb5spj·v1 · currentpublished
Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo
with Raymond C. Clay, Jeremy B. McMinis, Jeffrey M. McMahon, Carlo Pierleoni +1
1 version
W_w4t7nrx8·v1published
Preprints & journals
158 papers in the corpus · 1985–2025Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential.40411000 · Istas, Mathieu, Jensen, Scott, Yang, Yubo et al.2025 · 13 citationsPhysical review. E. 2025;111(4-2):045307
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo.39907135 · Goswami, Shubhang, Jensen, Scott, Yang, Yubo et al.2025 · 9 citationsThe Journal of chemical physics. 2025;162(5)
The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential2412.14953v1 · Mathieu Istas, Scott Jensen, Yubo Yang et al.2024 · 0 citationsarXiv
Melting of atomic hydrogen and deuterium with path-integral Monte Carlo2409.19484v1 · Kevin K. Ly, David M. Ceperley2024 · 1 citationarXiv
First principles simulations of dense hydrogen2405.10627v1 · Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen et al.2024 · 92 citationsarXiv
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods2311.08506v2 · Vitaly Gorelov, Markus Holzmann, David M. Ceperley et al.2023 · 2 citationsarXiv
Static Self-Energy and Effective Mass of the Homogeneous Electron Gas from Quantum Monte Carlo Calculations.37977649 · Holzmann, Markus, Calcavecchia, Francesco, Ceperley, David M et al.2023 · 5 citationsPhysical review letters. 2023;131(18):186501
Training models using forces computed by stochastic electronic structure methods2310.15994v1 · David M. Ceperley, Scott Jensen, Yubo Yang et al.2023 · 13 citationsElectron. Struct. 6 (2024) 015011
Neutral band gap of carbon by quantum Monte Carlo methods2303.17944v2 · V. Gorelov, Y. Yang, M. Ruggeri et al.2023 · 4 citationsCondensed Matter Physics, 2023, vol. 26, No. 3, 33701
Hopes raised for room-temperature superconductivity, but doubts remain.36890377 · Jin, ChangQing, Ceperley, David2023 · 5 citationsNature. 2023;615(7951):221-222
Stable Solid Molecular Hydrogen above 900 K from a Machine-Learned Potential Trained with Diffusion Quantum Monte Carlo.36867819 · Niu, Hongwei, Yang, Yubo, Jensen, Scott et al.2023 · 44 citationsPhysical review letters. 2023;130(7):076102
Stability and distortion of fcc-LaH with path-integral molecular dynamics2206.04146v1 · Kevin K. Ly, David M. Ceperley2022 · 7 citationsarXiv
Phonons of metallic hydrogen with quantum Monte Carlo.35105096 · Ly, Kevin K, Ceperley, David M2022 · 10 citationsThe Journal of chemical physics. 2022;156(4):044108
Berni Julian Alder, theoretical physicist and inventor of molecular dynamics, 1925-2020.33622799 · Ceperley, David M, Libby, Stephen B2021 · 2 citationsProceedings of the National Academy of Sciences of the United States of America. 2021;118(11)
Electronic structure and optical properties of quantum crystals from first principles calculations in the Born-Oppenheimer approximation.33353339 · Gorelov, Vitaly, Ceperley, David M, Holzmann, Markus et al.2020 · 13 citationsThe Journal of chemical physics. 2020;153(23):234117
Electronic energy gap closure and metal-insulator transition in dense liquid hydrogen2009.00652v1 · Vitaly Gorelov, David M. Ceperley, Markus Holzmann et al.2020 · 18 citationsPhys. Rev. B 102, 195133 (2020)
Quantum Monte Carlo determination of the principal Hugoniot of deuterium2008.00269v1 · Michele Ruggeri, Markus Holzmann, David M. Ceperley et al.2020 · 8 citationsPhys. Rev. B 102, 144108 (2020)
Energy Gap Closure of Crystalline Molecular Hydrogen with Pressure.32242714 · Gorelov, Vitaly, Holzmann, Markus, Ceperley, David M et al.2020 · 39 citationsPhysical review letters. 2020;124(11):116401
Quantum Monte Carlo Compton profiles of solid and liquid lithium1912.12295v1 · Yubo Yang, Nozomu Hiraoka, Kazuhiro Matsuda et al.2019 · 14 citationsPhys. Rev. B 101, 165125 (2020)
Electronic band gaps from Quantum Monte Carlo methods1910.07531v2 · Yubo Yang, Vitaly Gorelov, Carlo Pierleoni et al.2019 · 40 citationsPhys. Rev. B 101, 085115 (2020)
Optical properties of high-pressure fluid hydrogen across molecular dissociation.31040212 · Rillo, Giovanni, Morales, Miguel A, Ceperley, David M et al.2023 · 40 citationsProceedings of the National Academy of Sciences of the United States of America. 2019;116(20):9770-9774
Benchmarking vdW-DF first principle predictions against Coupled Electron-Ion Monte Carlo for high pressure liquid hydrogen1812.07818v1 · Vitaly Gorelov, Carlo Pierleoni, David M. Ceperley2018 · 13 citationsarXiv
Properties of the Superfluid in the Disordered Bose-Hubbard Model1804.05789v2 · Bruno R. de Abreu, Ushnish Ray, Silvio A. Vitiello et al.2018 · 11 citationsPhys. Rev. A 98, 023628 (2018)
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.29582782 · Kim, Jeongnim, Baczewski, Andrew T, Beaudet, Todd D et al.2019 · 327 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2018;30(19):195901
Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals.29544324 · Rillo, Giovanni, Morales, Miguel A, Ceperley, David M et al.2018 · 48 citationsThe Journal of chemical physics. 2018;148(10):102314
Preface: Special Topic on Nuclear Quantum Effects.29544330 · Tuckerman, Mark, Ceperley, David2018 · 8 citationsThe Journal of chemical physics. 2018;148(10):102001
Electron localization properties in high pressure hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo1712.00392v1 · Carlo Pierleoni, Giovanni Rillo, David M. Ceperley et al.2017 · 9 citationsarXiv
Local structure in dense hydrogen at the liquid-liquid phase transition by Coupled Electron-Ion Monte Carlo1711.00702v1 · Carlo Pierleoni, Markus Holzmann, David M. Ceperley2017 · 25 citationsarXiv
Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods1705.01608v2 · Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan et al.2017 · 282 citationsPhys. Rev. X 7, 031059 (2017)
Discovering correlated fermions using quantum Monte Carlo.27518859 · Wagner, Lucas K, Ceperley, David M2018 · 76 citationsReports on progress in physics. Physical Society (Great Britain). 2016;79(9):094501
Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method1607.02780v1 · Norm Tubman, Yubo Yang, Sharon Hammes-Schiffer et al.2016 · 1 citationarXiv
Liquid-liquid phase transition in hydrogen by coupled electron-ion Monte Carlo simulations.27099295 · Pierleoni, Carlo, Morales, Miguel A, Rillo, Giovanni et al.2016 · 127 citationsProceedings of the National Academy of Sciences of the United States of America. 2016;113(18):4953-7
Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids1603.03957v2 · Markus Holzmann, Raymond C. Clay III, Miguel A. Morales et al.2016 · 120 citationsPhys. Rev. B 94, 035126 (2016)
The transition to the metallic state in low density hydrogen.26590549 · McMinis, Jeremy, Morales, Miguel A, Ceperley, David M et al.2016 · 2 citationsThe Journal of chemical physics. 2015;143(19):194703
How large are nonadiabatic effects in atomic and diatomic systems?26429012 · Yang, Yubo, Kylänpää, Ilkka, Tubman, Norm M et al.2015 · 15 citationsThe Journal of chemical physics. 2015;143(12):124308
Benchmarking Hydrogen-Helium Mixtures with QMC: Energetics, Pressures, and Forces1508.05118v1 · Raymond C. Clay III, Markus Holzmann, David M. Ceperley et al.2015 · 48 citationsPhys. Rev. B 93, 035121 (2016)
Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations.26252690 · Tubman, Norm M, Liberatore, Elisa, Pierleoni, Carlo et al.2015 · 42 citationsPhysical review letters. 2015;115(4):045301
Probing the Bose-Glass--Superfluid Transition using Quantum Quenches of Disorder1502.02333v1 · C. Meldgin, U. Ray, P. Russ et al.2015 · 98 citationsarXiv
Metastable Bose-Einstein Condensation in a Strongly Correlated Optical Lattice1411.5593v2 · David McKay, Ushnish Ray, Stefan Natu et al.2014 · 10 citationsarXiv
Beyond the Born-Oppenheimer approximation with quantum Monte Carlo1407.3788v1 · Norm M. Tubman, Ilkka Kylanpaa, Sharon Hammes-Schiffer et al.2014 · 33 citationsPhys. Rev. A 90, 042507 (2014)
Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water.26580755 · Morales, Miguel A, Gergely, John R, McMinis, Jeremy et al.2015 · 44 citationsJournal of chemical theory and computation. 2014;10(6):2355-62
Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo1401.7365v2 · Raymond C. Clay, Jeremy B. McMinis, Jeffrey M. McMahon et al.2014 · 97 citationsarXivon Valency
Exchange-correlation energy for the 3D homogeneous electron gas at arbitrary temperature1306.1863v2 · Ethan W. Brown, Jonathan L. DuBois, Markus Holzmann et al.2013 · 64 citationsPhys. Rev. B 88, 081102(R) (2013)
The Quantum Energy Density: Improved Efficiency for Quantum Monte Carlo1305.4563v1 · Jaron T. Krogel, Min Yu, Jeongnim Kim et al.2013 · 10 citationsarXiv
Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas.25167016 · Brown, Ethan W, Clark, Bryan K, DuBois, Jonathan L et al.2015 · 262 citationsPhysical review letters. 2013;110(14):146405
Towards a Predictive First-Principles Description of Solid Molecular Hydrogen with Density-Functional Theory1303.6673v1 · M. A. Morales, J. M. McMahon, C. Pierleoni et al.2013 · 85 citationsarXiv
Nuclear quantum effects and nonlocal exchange-correlation functionals applied to liquid hydrogen at high pressure.23432276 · Morales, Miguel A, McMahon, Jeffrey M, Pierleoni, Carlo et al.2013 · 181 citationsPhysical review letters. 2013;110(6):065702
Revealing the Condensate and Non-Condensate Distributions in the Inhomogeneous Bose-Hubbard Model1209.1053v3 · Ushnish Ray, David M. Ceperley2012 · 9 citationsarXiv
Few-body reference data for multicomponent formalisms: Light nuclei molecules1208.2216v1 · Ilkka Kylanpaa, Tapio T. Rantala, David M. Ceperley2012 · 14 citationsarXiv
Electronic Energy Functionals: Levy-Lieb principle within the Ground State Path Integral Quantum Monte Carlo1205.6503v1 · Luigi Delle Site, Luca M. Ghiringhelli, David Ceperley2012 · 10 citationsarXiv
Career total: 506 works. 158 are in this corpus.Showing the 50 most recent.
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