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List of works by Hui Wang

ATLAS: A real-space finite-difference implementation of orbital-free density functional theory ⬇️

CALYPSO structure prediction method and its wide application

Computer-Assisted Inverse Design of Inorganic Electrides

Construction of crystal structure prototype database: methods and applications

scientific article

Design of Superhard Ternary Compounds under High Pressure: SiC2N4 and Si2CN4

Dissociation of methane under high pressure.

scientific article published on October 2010

First-principles prediction on the high-pressure structures of transition metal diborides (TMB2, TM = Sc, Ti, Y, Zr)

scientific article published on 01 August 2010

First-principles study of the magnetic, structural and electronic properties of LiFeAs

scientific article published on 12 January 2010

High pressure partially ionic phase of water ice

scientific article published in Nature Communications

High-pressure crystal structures and superconductivity of Stannane (SnH4).

scientific article

High-pressure polymorphs of Li(2)BeH(4) predicted by first-principles calculations

scientific article published on 27 August 2009

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

scientific article

Materials discovery via CALYPSO methodology

scientific article published on 29 April 2015

Metallization and superconductivity of BeH2 under high pressure.

scientific article published in March 2014

Predicted lithium-boron compounds under high pressure.

scientific article published on 2 November 2012

Prediction of Host-Guest Na-Fe Intermetallics at High Pressures

scientific article published on 24 June 2016

Pressure stabilization of long-missing bare C6 hexagonal rings in binary sesquicarbides

Quasi-Molecular and Atomic Phases of Dense Solid Hydrogen

article published in 2012

Stable Lithium Argon compounds under high pressure.

scientific article

Structural and mechanical properties of platinum carbide.

scientific article published on 15 May 2014

Structural morphologies of high-pressure polymorphs of strontium hydrides

scientific article published on 01 July 2015

Superhard Monoclinic Polymorph of Carbon

scientific article

Tellurium Hydrides at High Pressures: High-Temperature Superconductors

scientific article published on 4 February 2016

Tetragonal allotrope of group 14 elements

scientific article published on 19 July 2012

Two-dimensional silicon monolayers generated on c-BN(111) substrate.

scientific article published on 2 June 2015

Twofold coordinated ground-state and eightfold high-pressure phases of heavy transition metal nitrides MN(2) (M = Os, Ir, Ru, and Rh)

scientific article published on 01 October 2009

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