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What superconducts in sulfur hydrides under pressure and why

Physical review. B, Condensed matter and materials physics, 2015-02, Vol.91 (6), Article 060511

2015

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Phase stability in the Fe–Ni system: Investigation by first-principles calculations and atomistic simulations

Acta materialia, 2005-09, Vol.53 (15), p.4029-4041

2005

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The Slater-Koster tight-binding method: a computationally efficient and accurate approach

Journal of physics. Condensed matter, 2003-03, Vol.15 (10), p.R413-R440

2003

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Tight-binding calculations of the band structure and total energies of the various polytypes of silicon carbide

Physical review. B, Condensed matter and materials physics, 2005-02, Vol.71 (7), p.075203.1-075203.11, Article 075203

2005

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Tight-binding studies of bulk properties and hydrogen vacancies in KBH4

Computational materials science, 2013-11, Vol.79, p.888-895

2013

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Unified picture of the molecular adsorption process: O2/Pt(1 1 1)

Surface science, 2003-08, Vol.539 (1-3), p.L542-L548

2003

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High-temperature superconductivity in LaH10

Physical review. B, 2020-02, Vol.101 (6), p.1

2020

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Botryosphaeriaceae associated with die‐back of Schizolobium parahyba trees in South Africa and Ecuador

Forest pathology = Journal de pathologie forestière = Zeitschrift für Forstpathologie, 2014-10, Vol.44 (5), p.396-408

2014

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A tight-binding investigation of the NaxCoO2 Fermi surface

Europhysics letters, 2004-11, Vol.68 (3), p.433-439

2004

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High thermal conductivity of a hydrogenated amorphous silicon film

Physical review letters, 2009-01, Vol.102 (3), p.035901-035901, Article 035901

2009

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Static and dynamic tight-binding simulations of the binary NbMo and CuZr alloys

Journal of alloys and compounds, 2009-08, Vol.483 (1), p.627-631

2009

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Confronting the constraints of morphological taxonomy in the Botryosphaeriales

Persoonia, 2014-12, Vol.33 (1), p.155-168

2014

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Interatomic potentials for monoatomic metals from experimental data and ab initio calculations

Physical review. B, Condensed matter, 1999-02, Vol.59 (5), p.3393-3407

1999

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Stability and high-temperature superconductivity in hydrogenated chlorine

Quantum Studies : Mathematics and Foundations, 2018-04, Vol.5 (1), p.23-33

2018

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Electronic structure of the Cu3Au(1 1 1) surface

Applied surface science, 2003-10, Vol.219 (1-2), p.158-166

2003

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Vibrational modes and diffusion of self-interstitial atoms in body-centered-cubic transition metals: A tight-binding molecular-dynamics study

Physical review. B, Condensed matter and materials physics, 2006-11, Vol.74 (18), Article 184118

2006

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Electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe

The Journal of physics and chemistry of solids, 2002, Vol.63 (5), p.833-841

2002

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Electronic structure calculations of PbTe

The Journal of physics and chemistry of solids, 2000-10, Vol.61 (10), p.1639-1645

2000

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Application of the NRL tight-binding method to the heavy elements Pb and Po

The Journal of physics and chemistry of solids, 2004-11, Vol.65 (11), p.1837-1842

2004

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Second-moment interatomic potential for Cu-Au alloys based on total-energy calculations and its application to molecular-dynamics simulations

Journal of physics. Condensed matter, 1998-12, Vol.10 (48), p.10979-10990

1998

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Pressure-induced high-temperature superconductivity in hypothetical H3X (X=As, Se, Br, Sb, Te and I) in the H3S structure with Im3¯m symmetry

The Journal of physics and chemistry of solids, 2020-04, Vol.139, Article 109315

2020

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High-temperature superconductivity at high pressures for H3SixP1−x, H3PxS1−x, and H3ClxS1−x

The Journal of physics and chemistry of solids, 2016-12, Vol.99, p.105-110

2016

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Properties of bcc metals by tight-binding total energy simulations

Materials science & engineering. B, Solid-state materials for advanced technology, 2009-06, Vol.163 (1), p.8-16

2009

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Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O 2 ∕ Pt ( 111 )

The Journal of chemical physics, 2006-05, Vol.124 (17), p.174713-174713-7

2006

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Tight-binding study of high-pressure phase transitions in titanium: Alpha to omega and beyond

Europhysics letters, 2002-10, Vol.60 (2), p.248-254

2002

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What superconducts in sulfur hydrides under pressure and why

Phase stability in the Fe–Ni system: Investigation by first-principles calculations and atomistic simulations

The Slater-Koster tight-binding method: a computationally efficient and accurate approach

Tight-binding calculations of the band structure and total energies of the various polytypes of silicon carbide

Tight-binding studies of bulk properties and hydrogen vacancies in KBH4

Unified picture of the molecular adsorption process: O2/Pt(1 1 1)

High-temperature superconductivity in LaH10

Botryosphaeriaceae associated with die‐back of Schizolobium parahyba trees in South Africa and Ecuador

A tight-binding investigation of the NaxCoO2 Fermi surface

High thermal conductivity of a hydrogenated amorphous silicon film

Static and dynamic tight-binding simulations of the binary NbMo and CuZr alloys

Confronting the constraints of morphological taxonomy in the Botryosphaeriales

Interatomic potentials for monoatomic metals from experimental data and ab initio calculations

Stability and high-temperature superconductivity in hydrogenated chlorine

Electronic structure of the Cu3Au(1 1 1) surface

Vibrational modes and diffusion of self-interstitial atoms in body-centered-cubic transition metals: A tight-binding molecular-dynamics study

Electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe

Electronic structure calculations of PbTe

Application of the NRL tight-binding method to the heavy elements Pb and Po

Second-moment interatomic potential for Cu-Au alloys based on total-energy calculations and its application to molecular-dynamics simulations

Pressure-induced high-temperature superconductivity in hypothetical H3X (X=As, Se, Br, Sb, Te and I) in the H3S structure with Im3¯m symmetry

High-temperature superconductivity at high pressures for H3SixP1−x, H3PxS1−x, and H3ClxS1−x

Properties of bcc metals by tight-binding total energy simulations

Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O 2 ∕ Pt ( 111 )

Tight-binding study of high-pressure phase transitions in titanium: Alpha to omega and beyond

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