Anharmonicity and finite-temperature effects on the structure, stability, and vibrational spectrum of phase III of solid molecular hydrogen

Second generation Car-Parrinello molecular dynamics

(2014) Thomas D. Kühne   Wiley Interdisciplinary Reviews-Computational Molecular Science

Quantum Monte Carlo study of high pressure solid molecular hydrogen

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

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

(2013) Sam Azadi et al.   PHYSICAL REVIEW B

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

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

Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics

(2013) Ioan B. Magdău et al.   PHYSICAL REVIEW B

High-Pressure Measurements of Hydrogen Phase IV Using Synchrotron Infrared Spectroscopy

(2013) Chang-sheng Zha et al.   PHYSICAL REVIEW LETTERS

Proton or Deuteron Transfer in Phase IV of Solid Hydrogen and Deuterium

(2013) Hanyu Liu et al.   PHYSICAL REVIEW LETTERS

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

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

Absence of metallization in solid molecular hydrogen

(2012) S. Azadi et al.   JETP LETTERS

Proton tunneling in phase IV of hydrogen and deuterium

(2012) Ross T. Howie et al.   PHYSICAL REVIEW B

Synchrotron Infrared Measurements of Dense Hydrogen to 360 GPa

(2012) Chang-Sheng Zha et al.   PHYSICAL REVIEW LETTERS

Mixed Molecular and Atomic Phase of Dense Hydrogen

(2012) Ross T. Howie et al.   PHYSICAL REVIEW LETTERS

Conductive dense hydrogen

(2011) M. I. Eremets et al.   NATURE MATERIALS

Evidence from x-ray diffraction of orientational ordering in phase III of solid hydrogen at pressures up to 183 GPa

(2010) Yuichi Akahama et al.   PHYSICAL REVIEW B

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

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