High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content

Dielectric response of rock-salt crystals at finite temperatures from first principles

(2022) Nimrod Benshalom et al.   Physical Review Materials

Magnetic field screening in hydrogen-rich high-temperature superconductors

(2022) V. S. Minkov et al.   Nature Communications

Anomalous High‐Temperature Superconductivity in YH 6

(2021) Ivan A. Troyan et al.   ADVANCED MATERIALS

Nitrosonium nitrate (NO+NO3 −) structure solution using in situ single-crystal X-ray diffraction in a diamond anvil cell

(2021) Dominique Laniel et al.   IUCrJ

Synthesis of Weaire–Phelan Barium Polyhydride

(2021) Miriam Peña-Alvarez et al.   Journal of Physical Chemistry Letters

Synthesis of Yttrium Superhydride Superconductor with a Transition Temperature up to 262 K by Catalytic Hydrogenation at High Pressures

(2021) Elliot Snider et al.   PHYSICAL REVIEW LETTERS

High-Pressure Synthesis of the β-Zn3N2 Nitride and the α-ZnN4 and β-ZnN4 Polynitrogen Compounds

(2021) Dominique Laniel et al.   INORGANIC CHEMISTRY

Unusual width of the superconducting transition in a hydride

(2021) J. E. Hirsch et al.   NATURE

High-Temperature Superconducting Phases in Cerium Superhydride with a Tc up to 115 K below a Pressure of 1 Megabar

(2021) Wuhao Chen et al.   PHYSICAL REVIEW LETTERS

Superconductivity up to 243 K in the yttrium-hydrogen system under high pressure

(2021) Panpan Kong et al.   Nature Communications

High-Pressure Synthesis of Magnetic Neodymium Polyhydrides

(2020) Di Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride

(2020) Ion Errea et al.   NATURE

Superconducting praseodymium superhydrides

(2020) Di Zhou et al.   Science Advances

Quantum ESPRESSO toward the exascale

(2020) Paolo Giannozzi et al.   JOURNAL OF CHEMICAL PHYSICS

Boosted Tc of 166 K in superconducting D3S synthesized from elemental sulfur and hydrogen

(2020) Vasily S. Minkov et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Room-temperature superconductivity in a carbonaceous sulfur hydride

(2020) Elliot Snider et al.   NATURE

Synthesis of palladium carbides and palladium hydride in laser heated diamond anvil cells

(2020) T. Fedotenko et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Novel Strongly Correlated Europium Superhydrides

(2020) Dmitrii V. Semenok et al.   Journal of Physical Chemistry Letters

Nuclear spin coupling crossover in dense molecular hydrogen

(2020) Thomas Meier et al.   Nature Communications

Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures

(2019) Maddury Somayazulu et al.   PHYSICAL REVIEW LETTERS

Superconductivity at 250 K in lanthanum hydride under high pressures

(2019) A. P. Drozdov et al.   NATURE

High-temperature superconductivity in sulfur hydride evidenced by alternating-current magnetic susceptibility

(2019) Xiaoli Huang et al.   National Science Review

High Pressure Investigation of the S–N2 System up to the Megabar Range: Synthesis and Characterization of the SN2 Solid

(2019) Dominique Laniel et al.   INORGANIC CHEMISTRY

Polyhydride CeH9 with an atomic-like hydrogen clathrate structure

(2019) Xin Li et al.   Nature Communications

Laser heating setup for diamond anvil cells for in situ synchrotron and in house high and ultra-high pressure studies

(2019) T. Fedotenko et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Superconductivity of Pure H3S Synthesized from Elemental Sulfur and Hydrogen

(2019) Harushige Nakao et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

High-Pressure Geophysical Properties of Fcc Phase FeHX

(2018) E. C. Thompson et al.   GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS

Electrical resistivity of fcc phase iron hydrides at high pressures and temperatures

(2018) Kenji Ohta et al.   COMPTES RENDUS GEOSCIENCE

Methodology for in situ synchrotron X-ray studies in the laser-heated diamond anvil cell

(2017) M. Mezouar et al.   HIGH PRESSURE RESEARCH

Advanced capabilities for materials modelling with Quantum ESPRESSO

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

Lattice Thermal Conductivity of Polyethylene Molecular Crystals from First-Principles Including Nuclear Quantum Effects

(2017) Nina Shulumba et al.   PHYSICAL REVIEW LETTERS

Potential high-Tcsuperconducting lanthanum and yttrium hydrides at high pressure

(2017) Hanyu Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Synthesis of FeH5: A layered structure with atomic hydrogen slabs

(2017) C. M. Pépin et al.   SCIENCE

Crystal structure of the superconducting phase of sulfur hydride

(2016) Mari Einaga et al.   Nature Physics

All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

(2015) Franz Knuth et al.   COMPUTER PHYSICS COMMUNICATIONS

DIOPTAS: a program for reduction of two-dimensional X-ray diffraction data and data exploration

(2015) Clemens Prescher et al.   HIGH PRESSURE RESEARCH

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

(2015) A. P. Drozdov et al.   NATURE

High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor

(2015) Ion Errea et al.   PHYSICAL REVIEW LETTERS

Equation of state of rhenium and application for ultra high pressure calibration

(2014) Simone Anzellini et al.   JOURNAL OF APPLIED PHYSICS

Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

(2013) Bartomeu Monserrat et al.   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Effect of laser annealing of pressure gradients in a diamond-anvil cell using common solid pressure media

(2013) Ilya Uts et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

X-ray diffraction and Mössbauer spectroscopy study of fcc iron hydride FeH at high pressures and implications for the composition of the Earth's core

(2011) Olga Narygina et al.   EARTH AND PLANETARY SCIENCE LETTERS

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

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

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

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS