Publications by authors named "DM Ceperley"

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Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential.
Mathieu Istas, Scott Jensen, Yubo Yang, Markus Holzmann, Carlo Pierleoni, David M Ceperley

Phys Rev E· April 2025

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High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo.
Shubhang Goswami, Scott Jensen, Yubo Yang, Markus Holzmann, Carlo Pierleoni, David M Ceperley

J Chem Phys· February 2025

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Static Self-Energy and Effective Mass of the Homogeneous Electron Gas from Quantum Monte Carlo Calculations.
Markus Holzmann, Francesco Calcavecchia, David M Ceperley, Valerio Olevano

Phys Rev Lett· November 2023

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Stable Solid Molecular Hydrogen above 900 K from a Machine-Learned Potential Trained with Diffusion Quantum Monte Carlo.
Hongwei Niu, Yubo Yang, Scott Jensen, Markus Holzmann, Carlo Pierleoni, David M Ceperley

Phys Rev Lett· February 2023

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Phonons of metallic hydrogen with quantum Monte Carlo.
Kevin K Ly, David M Ceperley

J Chem Phys· January 2022

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Berni Julian Alder, theoretical physicist and inventor of molecular dynamics, 1925-2020.
David M Ceperley, Stephen B Libby

Proc Natl Acad Sci U S A· March 2021

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Electronic structure and optical properties of quantum crystals from first principles calculations in the Born-Oppenheimer approximation.
Vitaly Gorelov, David M Ceperley, Markus Holzmann, Carlo Pierleoni

J Chem Phys· December 2020

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Energy Gap Closure of Crystalline Molecular Hydrogen with Pressure.
Vitaly Gorelov, Markus Holzmann, David M Ceperley, Carlo Pierleoni

Phys Rev Lett· March 2020

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Optical properties of high-pressure fluid hydrogen across molecular dissociation.
Giovanni Rillo, Miguel A Morales, David M Ceperley, Carlo Pierleoni

Proc Natl Acad Sci U S A· May 2019

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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.
Jeongnim Kim, Andrew T Baczewski, Todd D Beaudet, Anouar Benali, M Chandler Bennett, David M Ceperley

J Phys Condens Matter· May 2018

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Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals.
Giovanni Rillo, Miguel A Morales, David M Ceperley, Carlo Pierleoni

J Chem Phys· March 2018

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Discovering correlated fermions using quantum Monte Carlo.
Lucas K Wagner, David M Ceperley

Rep Prog Phys· September 2016

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Liquid-liquid phase transition in hydrogen by coupled electron-ion Monte Carlo simulations.
Carlo Pierleoni, Miguel A Morales, Giovanni Rillo, Markus Holzmann, David M Ceperley

Proc Natl Acad Sci U S A· May 2016

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The transition to the metallic state in low density hydrogen.
Jeremy McMinis, Miguel A Morales, David M Ceperley, Jeongnim Kim

J Chem Phys· November 2015

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How large are nonadiabatic effects in atomic and diatomic systems?
Yubo Yang, Ilkka Kylänpää, Norm M Tubman, Jaron T Krogel, Sharon Hammes-Schiffer, David M Ceperley

J Chem Phys· September 2015

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Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations.
Norm M Tubman, Elisa Liberatore, Carlo Pierleoni, Markus Holzmann, David M Ceperley

Phys Rev Lett· July 2015

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Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water.
Miguel A Morales, John R Gergely, Jeremy McMinis, Jeffrey M McMahon, Jeongnim Kim, David M Ceperley

J Chem Theory Comput· June 2014

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Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas.
Ethan W Brown, Bryan K Clark, Jonathan L DuBois, David M Ceperley

Phys Rev Lett· April 2013

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Nuclear quantum effects and nonlocal exchange-correlation functionals applied to liquid hydrogen at high pressure.
Miguel A Morales, Jeffrey M McMahon, Carlo Pierleoni, David M Ceperley

Phys Rev Lett· February 2013

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Momentum distribution of the homogeneous electron gas.
Markus Holzmann, Bernard Bernu, Carlo Pierleoni, Jeremy McMinis, David M Ceperley

Phys Rev Lett· September 2011

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Path integral Monte Carlo study of 4He clusters doped with alkali and alkali-earth ions.
D E Galli, D M Ceperley, L Reatto

J Phys Chem A· June 2011

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Liquid-solid transition in fully ionized hydrogen at ultra-high pressures.
Elisa Liberatore, Carlo Pierleoni, D M Ceperley

J Chem Phys· May 2011

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Ground-state structures of atomic metallic hydrogen.
Jeffrey M McMahon, David M Ceperley

Phys Rev Lett· April 2011

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Why are para-hydrogen clusters superfluid? A quantum theorem of corresponding states study.
Mikhail B Sevryuk, J Peter Toennies, David M Ceperley

J Chem Phys· August 2010

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Momentum distribution and renormalization factor in sodium and the electron gas.
Simo Huotari, J Aleksi Soininen, Tuomas Pylkkänen, Keijo Hämäläinen, Arezki Issolah, David M Ceperley

Phys Rev Lett· August 2010

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