Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations

Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles

(2015) Huihuo Zheng et al.   PHYSICAL REVIEW LETTERS

Beyond the Born-Oppenheimer approximation with quantum Monte Carlo methods

(2014) Norm M. Tubman et al.   PHYSICAL REVIEW A

Energy density matrix formalism for interacting quantum systems: Quantum Monte Carlo study

(2014) Jaron T. Krogel et al.   PHYSICAL REVIEW B

Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo

(2014) Raymond C. Clay et al.   PHYSICAL REVIEW B

Dissociation of High-Pressure Solid Molecular Hydrogen: A Quantum Monte Carlo and Anharmonic Vibrational Study

(2014) Sam Azadi et al.   PHYSICAL REVIEW LETTERS

Ab initioQuantum Monte Carlo Calculations of Spin Superexchange in Cuprates: The Benchmarking Case ofCa2CuO3

(2014) Kateryna Foyevtsova et al.   Physical Review X

The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state

(2013) Eric Neuscamman   JOURNAL OF CHEMICAL PHYSICS

Fate of density functional theory in the study of high-pressure solid hydrogen

(2013) Sam Azadi et al.   PHYSICAL REVIEW B

Quantum Monte Carlo applied to solids

(2013) Luke Shulenburger et al.   PHYSICAL REVIEW B

Theory and application of explicitly correlated Gaussians

(2013) Jim Mitroy et al.   REVIEWS OF MODERN PHYSICS

The properties of hydrogen and helium under extreme conditions

(2012) Jeffrey M. McMahon et al.   REVIEWS OF MODERN PHYSICS

Prospects for release-node quantum Monte Carlo

(2011) Norm M. Tubman et al.   JOURNAL OF CHEMICAL PHYSICS

Multiphase equation of state of hydrogen fromab initiocalculations in the range 0.2 to 5 g/cc up to 10 eV

(2011) L. Caillabet et al.   PHYSICAL REVIEW B

Hugoniot of shocked liquid deuterium up to 300 GPa: Quantum molecular dynamic simulations

(2010) Cong Wang et al.   JOURNAL OF APPLIED PHYSICS

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations

(2010) M. A. Morales et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Laser-driven single shock compression of fluid deuterium from 45 to 220 GPa

(2009) D. G. Hicks et al.   PHYSICAL REVIEW B

Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard

(2009) M. D. Knudson et al.   PHYSICAL REVIEW LETTERS

A Massive Core in Jupiter Predicted from First-Principles Simulations

(2008) B. Militzer et al.   ASTROPHYSICAL JOURNAL

Ab Initio Equation of State Data for Hydrogen, Helium, and Water and the Internal Structure of Jupiter

(2008) Nadine Nettelmann et al.   ASTROPHYSICAL JOURNAL

Trial wave functions for high-pressure metallic hydrogen

(2008) Carlo Pierleoni et al.   COMPUTER PHYSICS COMMUNICATIONS

Time-resolved optical spectroscopy measurements of shocked liquid deuterium

(2008) J. E. Bailey et al.   PHYSICAL REVIEW B

Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations

(2008) Bastian Holst et al.   PHYSICAL REVIEW B

Finite-size errors in continuum quantum Monte Carlo calculations

(2008) N. D. Drummond et al.   PHYSICAL REVIEW B