On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 2, Pages 024501
Publisher
AIP Publishing
Online
2014-07-09
DOI
10.1063/1.4886075
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Raman measurements of phase transitions in dense solid hydrogen and deuterium to 325 GPa
- (2014) Chang-sheng Zha et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures
- (2013) Xin-Zheng Li et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Quantum Monte Carlo study of high pressure solid molecular hydrogen
- (2013) Sam Azadi et al. NEW JOURNAL OF PHYSICS
- Nature of proton transport in a water-filled carbon nanotube and in liquid water
- (2013) Ji Chen et al. PHYSICAL CHEMISTRY CHEMICAL 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
- Bonding, structures, and band gap closure of hydrogen at high pressures
- (2013) Alexander F. Goncharov 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
- Quantum simulation of low-temperature metallic liquid hydrogen
- (2013) Ji Chen et al. Nature Communications
- Assessing the accuracy of quantum Monte Carlo and density functional theory for energetics of small water clusters
- (2012) M. J. Gillan et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
- (2012) Jiří Klimeš et al. JOURNAL OF CHEMICAL PHYSICS
- Room-temperature structures of solid hydrogen at high pressures
- (2012) Hanyu Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Random-phase approximation and its applications in computational chemistry and materials science
- (2012) Xinguo Ren et al. JOURNAL OF MATERIALS SCIENCE
- Density functional theory study of phase IV of solid hydrogen
- (2012) Chris J. Pickard et al. PHYSICAL REVIEW B
- 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
- Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar
- (2012) Leonid Dubrovinsky et al. Nature Communications
- Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations
- (2011) Jie Ma et al. JOURNAL OF CHEMICAL PHYSICS
- Conductive dense hydrogen
- (2011) M. I. Eremets et al. NATURE MATERIALS
- Van der Waals density functionals applied to solids
- (2011) Jiří Klimeš et al. PHYSICAL REVIEW B
- Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
- (2011) Biswajit Santra et al. PHYSICAL REVIEW LETTERS
- Quantum nature of the hydrogen bond
- (2011) X.-Z. Li et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces
- (2010) Xin-Zheng Li et al. PHYSICAL REVIEW LETTERS
- Structure and Phase Boundaries of Compressed Liquid Hydrogen
- (2010) Isaac Tamblyn et al. PHYSICAL REVIEW LETTERS
- 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
- The water-benzene interaction: Insight from electronic structure theories
- (2009) Jie Ma et al. JOURNAL OF CHEMICAL PHYSICS
- Continuum variational and diffusion quantum Monte Carlo calculations
- (2009) R J Needs et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Chemical accuracy for the van der Waals density functional
- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Symmetry Breaking in Dense Solid Hydrogen: Mechanisms for the Transitions to Phase II and Phase III
- (2009) Pierre Tolédano et al. PHYSICAL REVIEW LETTERS
- Accurate Bulk Properties from Approximate Many-Body Techniques
- (2009) Judith Harl et al. PHYSICAL REVIEW LETTERS
- Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
- (2008) Judith Harl et al. PHYSICAL REVIEW B
- Melting Line of Hydrogen at High Pressures
- (2008) Shanti Deemyad et al. PHYSICAL REVIEW LETTERS
- Path Integral Treatment of Proton Transport Processes inBaZrO3
- (2008) Qianfan Zhang et al. PHYSICAL REVIEW LETTERS
- Ab InitioDescription of High-Temperature Superconductivity in Dense Molecular Hydrogen
- (2008) P. Cudazzo et al. PHYSICAL REVIEW LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More