Related references
Note: Only part of the references are listed.Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
Ion Errea et al.
NATURE (2020)
Synchrotron infrared spectroscopic evidence of the probable transition to metal hydrogen
Paul Loubeyre et al.
NATURE (2020)
Energy Gap Closure of Crystalline Molecular Hydrogen with Pressure
Vitaly Gorelov et al.
PHYSICAL REVIEW LETTERS (2020)
Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids
Pedro Borlido et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Giant effective charges and piezoelectricity in gapped graphene
O. Bistoni et al.
2D MATERIALS (2019)
Ultrahigh-pressure isostructural electronic transitions in hydrogen
Cheng Ji et al.
NATURE (2019)
Semimetallic molecular hydrogen at pressure above 350 GPa
M. I. Eremets et al.
NATURE PHYSICS (2019)
Nuclear quantum effects induce metallization of dense solid molecular hydrogen
Sam Azadi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
The PSEUDODOJO: Training and grading a 85 element optimized norm-conserving pseudopotential table
M. J. van Setten et al.
COMPUTER PHYSICS COMMUNICATIONS (2018)
Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals
Giovanni Rillo et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Strong Electron-Phonon and Band Structure Effects in the Optical Properties of High Pressure Metallic Hydrogen
Miguel Borinaga et al.
PHYSICAL REVIEW LETTERS (2018)
Structure and Metallicity of Phase V of Hydrogen
Bartomeu Monserrat et al.
PHYSICAL REVIEW LETTERS (2018)
High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects
Raffaello Bianco et al.
PHYSICAL REVIEW B (2018)
Finite-temperature infrared and Raman spectra of high-pressure hydrogen from first-principles molecular dynamics
Chunyi Zhang et al.
PHYSICAL REVIEW B (2018)
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation
Lorenzo Monacelli et al.
PHYSICAL REVIEW B (2018)
Advanced capabilities for materials modelling with QUANTUM ESPRESSO
P. Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
Comment on Observation of the Wigner-Huntington transition to metallic hydrogen
Alexander F. Goncharov et al.
SCIENCE (2017)
Observation of the Wigner-Huntington transition to metallic hydrogen
Ranga P. Dias et al.
SCIENCE (2017)
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: Theory and stochastic implementation
Raffaello Bianco et al.
PHYSICAL REVIEW B (2017)
Nature of the metallization transition in solid hydrogen
Sam Azadi et al.
PHYSICAL REVIEW B (2017)
Anharmonic enhancement of superconductivity in metallic molecular Cmca-4 hydrogen at high pressure: a first-principles study
Miguel Borinaga et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2016)
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
Ion Errea et al.
NATURE (2016)
Evidence for a new phase of dense hydrogen above 325 gigapascals
Philip Dalladay-Simpson et al.
NATURE (2016)
Molecular to Atomic Phase Transition in Hydrogen under High Pressure
Jeremy McMinis et al.
PHYSICAL REVIEW LETTERS (2015)
Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
N. D. Drummond et al.
NATURE COMMUNICATIONS (2015)
Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo
Raymond C. Clay et al.
PHYSICAL REVIEW B (2014)
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
Ion Errea et al.
PHYSICAL REVIEW B (2014)
Anharmonicity and finite-temperature effects on the structure, stability, and vibrational spectrum of phase III of solid molecular hydrogen
Ranber Singh et al.
PHYSICAL REVIEW B (2014)
Implementation of the modified Becke-Johnson meta-GGA functional in Quantum Espresso
Eric Germaneau et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Optimized norm-conserving Vanderbilt pseudopotentials
D. R. Hamann
PHYSICAL REVIEW B (2013)
Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics
Ioan B. Magdau et al.
PHYSICAL REVIEW B (2013)
Density functional theory study of phase IV of solid hydrogen
Chris J. Pickard et al.
PHYSICAL REVIEW B (2012)
Mixed Molecular and Atomic Phase of Dense Hydrogen
Ross T. Howie et al.
PHYSICAL REVIEW LETTERS (2012)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
Fabien Tran et al.
PHYSICAL REVIEW LETTERS (2009)
Structure of phase III of solid hydrogen
Chris J. Pickard et al.
NATURE PHYSICS (2007)
First-principles calculation of vibrational Raman spectra in large systems:: Signature of small rings in crystalline SiO2 -: art. no. 036401
M Lazzeri et al.
PHYSICAL REVIEW LETTERS (2003)
Share Paper
