High-temperature superconductivity in alkaline and rare earth polyhydrides at high pressure: A theoretical perspective

Superconducting Hydrogen Sulfide

(2018) Yansun Yao et al.   CHEMISTRY-A EUROPEAN JOURNAL

High Hydrides of Scandium under Pressure: Potential Superconductors

(2018) Xiaoqiu Ye et al.   Journal of Physical Chemistry C

Iron Superhydrides FeH5 and FeH6: Stability, Electronic Properties, and Superconductivity

(2018) Alexander G. Kvashnin et al.   Journal of Physical Chemistry C

Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors

(2018) Dmitrii V. Semenok et al.   Journal of Physical Chemistry Letters

Reactivity of He with ionic compounds under high pressure

(2018) Zhen Liu et al.   Nature Communications

The Jahn-Teller Distortion at High Pressure: The Case of Copper Difluoride

(2018) Dominik Kurzydłowski   Crystals

New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen

(2018) Ajay K. Mishra et al.   Journal of Physical Chemistry C

Crystal Structures and Properties of Iron Hydrides at High Pressure

(2018) Niloofar Zarifi et al.   Journal of Physical Chemistry C

Stable structures and superconductivity of an At–H system at high pressure

(2018) Ziji Shao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-year progress in experimental investigation on high-temperature superconductivity of sulfur hydride

(2017) Mari Einaga et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

High-pressure hydrogen sulfide by diffusion quantum Monte Carlo

(2017) Sam Azadi et al.   JOURNAL OF CHEMICAL PHYSICS

Multigap Superconductivity at Extremely High Temperature: A Model for the Case of Pressurized H2S

(2017) A. Bussmann-Holder et al.   Journal of Superconductivity and Novel Magnetism

Phase Stability and Superconductivity of Compressed Argon–Hydrogen Compounds from First-Principles

(2017) Takahiro Ishikawa et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

A stable compound of helium and sodium at high pressure

(2017) Xiao Dong et al.   Nature Chemistry

Spectroscopic evidence of a new energy scale for superconductivity in H3S

(2017) F. Capitani et al.   Nature Physics

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

(2017) Feng Peng 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

Comment on “Observation of the Wigner-Huntington transition to metallic hydrogen”

(2017) Xiao-Di Liu et al.   SCIENCE

Observation of the Wigner-Huntington transition to metallic hydrogen

(2017) Ranga P. Dias et al.   SCIENCE

Synthesis of FeH5: A layered structure with atomic hydrogen slabs

(2017) C. M. Pépin et al.   SCIENCE

The isotope effect in H 3 S superconductor

(2017) R. Szczęśniak et al.   SOLID STATE COMMUNICATIONS

Hydrogen-rich superconductors at high pressures

(2017) Hui Wang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Materials discovery at high pressures

(2017) Lijun Zhang et al.   Nature Reviews Materials

Structure and Composition of the 200 K-Superconducting Phase of H2 S at Ultrahigh Pressure: The Perovskite (SH− )(H3 S+ )

(2016) Elijah E. Gordon et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrides of the Alkali Metals and Alkaline Earth Metals Under Pressure

(2016) Eva Zurek   COMMENTS ON INORGANIC CHEMISTRY

High temperature superconductivity in sulfur and selenium hydrides at high pressure

(2016) José A. Flores-Livas et al.   EUROPEAN PHYSICAL JOURNAL B

AuO: Evolving from Dis- to Comproportionation and Back Again

(2016) Andreas Hermann et al.   INORGANIC CHEMISTRY

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system

(2016) Ion Errea et al.   NATURE

Evidence for a new phase of dense hydrogen above 325 gigapascals

(2016) Philip Dalladay-Simpson et al.   NATURE

Crystal structure of the superconducting phase of sulfur hydride

(2016) Mari Einaga et al.   Nature Physics

High-pressure stabilization of argon fluorides

(2016) Dominik Kurzydłowski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Possible “Magnéli” Phases and Self-Alloying in the Superconducting Sulfur Hydride

(2016) Ryosuke Akashi et al.   PHYSICAL REVIEW LETTERS

High-temperature conventional superconductivity

(2016) M I Eremets et al.   PHYSICS-USPEKHI

Observation of superconductivity in hydrogen sulfide from nuclear resonant scattering

(2016) I. Troyan et al.   SCIENCE

Synthesis of sodium polyhydrides at high pressures

(2016) Viktor V. Struzhkin et al.   Nature Communications

Hexacoordinated nitrogen(V) stabilized by high pressure

(2016) Dominik Kurzydłowski et al.   Scientific Reports

Pressure and high-Tc superconductivity in sulfur hydrides

(2016) Lev P. Gor’kov et al.   Scientific Reports

Breakdown of the Migdal approximation at Lifshitz transitions with giant zero-point motion in the H3S superconductor

(2016) Thomas Jarlborg et al.   Scientific Reports

Structure and superconductivity of hydrides at high pressures

(2016) Defang Duan et al.   National Science Review

Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure

(2016) Takahiro Ishikawa et al.   Scientific Reports

Quantitative analysis of nonadiabatic effects in dense H3S and PH3 superconductors

(2016) Artur P. Durajski   Scientific Reports

Conceptual Inorganic Materials Discovery - A Road Map

(2015) Martin Jansen   ADVANCED MATERIALS

Superconductivity above the lowest Earth temperature in pressurized sulfur hydride

(2015) Antonio Bianconi et al.   EPL

Superconductivity: Extraordinarily conventional

(2015) Igor I. Mazin   NATURE

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

(2015) A. P. Drozdov et al.   NATURE

Non-BCS thermodynamic properties of H2S superconductor

(2015) Artur P. Durajski et al.   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Superconductivity in compressed hydrogen-rich materials: Pressing on hydrogen

(2015) Viktor V. Struzhkin   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on

(2015) Eva Zurek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural morphologies of high-pressure polymorphs of strontium hydrides

(2015) Yanchao Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Investigation of stable germane structures under high-pressure

(2015) Huadi Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solid oxygenζphase and its transition fromɛphase at extremely high pressure: A first-principles analysis

(2015) A. J. Ochoa-Calle et al.   PHYSICAL REVIEW B

Influence of bonding on superconductivity in high-pressure hydrides

(2015) Christoph Heil et al.   PHYSICAL REVIEW B

First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides

(2015) Ryosuke Akashi et al.   PHYSICAL REVIEW B

Electron-phonon coupling and exchange-correlation effects in superconductingH3Sunder high pressure

(2015) Matej Komelj et al.   PHYSICAL REVIEW B

Pressure-induced decomposition of solid hydrogen sulfide

(2015) Defang Duan et al.   PHYSICAL REVIEW B

What superconducts in sulfur hydrides under pressure and why

(2015) N. Bernstein et al.   PHYSICAL REVIEW B

CubicH3Saround 200 GPa: An atomic hydrogen superconductor stabilized by sulfur

(2015) D. A. Papaconstantopoulos et al.   PHYSICAL REVIEW B

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

(2015) Ion Errea et al.   PHYSICAL REVIEW LETTERS

Synthesis of lithium polyhydrides above 130 GPa at 300 K

(2015) Charles Pépin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrogen segregation and its roles in structural stability and metallization: silane under pressure

(2015) Wenwen Cui et al.   Scientific Reports

Pressure-stabilized superconductive yttrium hydrides

(2015) Yinwei Li et al.   Scientific Reports

High-temperature Superconductivity in compressed Solid Silane

(2015) Huadi Zhang et al.   Scientific Reports

Aromaticity, Closed-Shell Effects, and Metallization of Hydrogen

(2014) Ivan I. Naumov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Metallization and superconductivity of BeH2 under high pressure

(2014) Ziwei Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Crystal structure prediction at high pressures

(2014) Yanchao Wang et al.   JOURNAL OF CHEMICAL PHYSICS

The metallization and superconductivity of dense hydrogen sulfide

(2014) Yinwei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Composition and Constitution of Compressed Strontium Polyhydrides

(2014) James Hooper et al.   Journal of Physical Chemistry C

Pressure-induced metallization of dense (H2S)2H2 with high-T c superconductivity

(2014) Defang Duan et al.   Scientific Reports

Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system

(2014) Shuyin Yu et al.   AIP Advances

On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

(2013) Biswajit Santra et al.   JOURNAL OF CHEMICAL PHYSICS

Polyhydrides of the Alkaline Earth Metals: A Look at the Extremes under Pressure

(2013) James Hooper et al.   Journal of Physical Chemistry C

An adaptive genetic algorithm for crystal structure prediction

(2013) S Q Wu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen at extreme pressures (Review Article)

(2013) Alexander F. Goncharov et al.   LOW TEMPERATURE PHYSICS

New perspectives on potential hydrogen storage materials using high pressure

(2013) Yang Song   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Metallization of magnesium polyhydrides under pressure

(2013) David C. Lonie 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

Rubidium Polyhydrides Under Pressure: Emergence of the Linear H3− Species

(2012) James Hooper et al.   CHEMISTRY-A EUROPEAN JOURNAL

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Hybrid functional study rationalizes the simple cubic phase of calcium at high pressures

(2012) Hanyu Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Pressure induced band gap opening of AlH3

(2012) Masaaki Geshi et al.   PHYSICA B-CONDENSED MATTER

Stability of the high-pressure phases of CaTiO3perovskite at finite temperatures

(2012) A. M. Teweldeberhan et al.   PHYSICAL REVIEW B

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

Superconductive sodalite-like clathrate calcium hydride at high pressures

(2012) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles calculations on the effect of pressure on SiH4(H2)2

(2012) K.V. Shanavas et al.   SOLID STATE COMMUNICATIONS

Pressure induced structural phase transitions—A review

(2012) Purvee Bhardwaj et al.   Open Chemistry

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Ab initiorandom structure searching

(2011) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Conductive dense hydrogen

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

Metallization of solid hydrogen: the challenge and possible solutions

(2011) Dennis D. Klug et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic and structural properties of dense liquid and amorphous nitrogen

(2011) Brian Boates et al.   PHYSICAL REVIEW B

High-temperature superconductivity in atomic metallic hydrogen

(2011) Jeffrey M. McMahon et al.   PHYSICAL REVIEW B

High Pressure Stabilization and Emergent Forms ofPbH4

(2011) Patryk Zaleski-Ejgierd et al.   PHYSICAL REVIEW LETTERS

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures

(2011) Biswajit Santra et al.   PHYSICAL REVIEW LETTERS

Electronic, Vibrational, and Superconducting Properties of High-Pressure Metallic SiH4:ab initioCalculations

(2010) Yan Yan et al.   CHINESE PHYSICS LETTERS

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

(2010) David C. Lonie et al.   COMPUTER PHYSICS COMMUNICATIONS

Structural transitions of solid germane under pressure

(2010) Chao Zhang et al.   EPL

Anisotropic Thermal Expansion of SiO2 and AlPO4 Clathrasils with the AST-Type Structure

(2010) Mahrez Amri et al.   Journal of Physical Chemistry C

Atomic structure andSiH4-H2interactions ofSiH4(H2)2from first principles

(2010) Kyle Michel et al.   PHYSICAL REVIEW B

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Pressure-Induced Intermolecular Interactions in Crystalline Silane-Hydrogen

(2010) Wai-Leung Yim et al.   PHYSICAL REVIEW LETTERS

Silane plus molecular hydrogen as a possible pathway to metallic hydrogen

(2010) Y. Yao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Superconductivity at  100 K in dense SiH4(H2)2 predicted by first principles

(2010) Y. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Searching for low-energy structures of nanoparticles: a comparison of different methods and algorithms

(2009) G Rossi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

Pressure-induced bonding and compound formation in xenon–hydrogen solids

(2009) Maddury Somayazulu et al.   Nature Chemistry

Predicting solid compounds via global exploration of the energy landscape of solids on theab initiolevel without recourse to experimental information

(2009) J. Christian Schön et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Novel Structures and Superconductivity of Silane under Pressure

(2009) Miguel Martinez-Canales et al.   PHYSICAL REVIEW LETTERS

Novel Pressure-Induced Interactions in Silane-Hydrogen

(2009) Timothy A. Strobel et al.   PHYSICAL REVIEW LETTERS

High pressure chemistry in the H2-SiH4 system

(2009) S. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A little bit of lithium does a lot for hydrogen

(2009) E. Zurek et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS

Structures at high pressure from random searching

(2008) C. J. Pickard et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Dynamical stability of the cubic metallic phase ofAlH3at ambient pressure: Density functional calculations

(2008) D. Y. Kim et al.   PHYSICAL REVIEW B

Superconducting Behavior in Compressed SolidSiH4with a Layered Structure

(2008) Xiao-Jia Chen et al.   PHYSICAL REVIEW LETTERS

Superconducting High Pressure Phase of Germane

(2008) Guoying Gao et al.   PHYSICAL REVIEW LETTERS

Ab InitioDescription of High-Temperature Superconductivity in Dense Molecular Hydrogen

(2008) P. Cudazzo et al.   PHYSICAL REVIEW LETTERS

Pressure-Induced Hydrogen-Dominant Metallic State in Aluminum Hydride

(2008) Igor Goncharenko et al.   PHYSICAL REVIEW LETTERS

Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory

(2008) D. Y. Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Superconductivity in Hydrogen Dominant Materials: Silane

(2008) M. I. Eremets et al.   SCIENCE