Benchmarking vdW-DF first-principles predictions against Coupled Electron-Ion Monte Carlo for high-pressure liquid hydrogen

Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals

(2018) Giovanni Rillo et al.   JOURNAL OF CHEMICAL PHYSICS

Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations

(2018) Guglielmo Mazzola et al.   PHYSICAL REVIEW LETTERS

Insulator-metal transition in dense fluid deuterium

(2018) Peter M. Celliers et al.   SCIENCE

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations

(2016) Carlo Pierleoni et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2015) Norm M. Tubman et al.   PHYSICAL REVIEW LETTERS

Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium

(2015) M. D. Knudson et al.   SCIENCE

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

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

Quantum Monte Carlo study of high pressure solid molecular hydrogen

(2013) Sam Azadi et al.   NEW JOURNAL OF PHYSICS

Towards a predictive first-principles description of solid molecular hydrogen with density functional theory

(2013) Miguel A. Morales et al.   PHYSICAL REVIEW B

Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure

(2013) Miguel A. Morales et al.   PHYSICAL REVIEW LETTERS

The properties of hydrogen and helium under extreme conditions

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

Stable Liquid Hydrogen at High Pressure by a NovelAb InitioMolecular-Dynamics Calculation

(2008) Claudio Attaccalite et al.   PHYSICAL REVIEW LETTERS