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List of works by José A. Flores-Livas

A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

Ab initio Eliashberg Theory: Making Genuine Predictions of Superconducting Features

Accelerated materials design approaches based on structural classification: application to low enthalpy high pressure phases of SH3 and SeH3

Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers

scientific article published on 18 January 2018

Carbon structures and defect planes in diamond at high pressure

scholarly article in Physical Review B, vol. 88 no. 1, July 2013

Comment on “Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach”

scientific article published in Physical Review Letters

Computational Screening of Useful Hole–Electron Dopants in SnO2

Computational acceleration of prospective dopant discovery in cuprous iodide

scientific article published on 29 July 2019

Crystal Structure of Cold Compressed Graphite

scientific article published in Physical Review Letters

Crystal structure prediction of magnetic materials

scientific article published on 10 March 2020

Emergence of hidden phases of methylammonium lead iodide (CH3NH3PbI3) upon compression

Emergence of superconductivity in doped H2O ice at high pressure

scientific article published on 28 July 2017

Enhancing the Superconducting Transition Temperature ofBaSi2by Structural Tuning

scientific article published in Physical Review Letters

High temperature superconductivity in sulfur and selenium hydrides at high pressure ⬇️

scholarly article by José A. Flores-Livas et al published March 2016 in European Physical Journal B

High-Pressure Structures of Disilane and Their Superconducting Properties

scientific article published in Physical Review Letters

Interplay between structure and superconductivity: Metastable phases of phosphorus under pressure

scholarly article by José A. Flores-Livas et al published 20 July 2017 in Physical Review Materials

Investigation of new phases in the Ba-Si phase diagram under high pressure using ab initio structural search

scientific article published on 29 February 2016

L10 Stacked Binaries as Candidates for Hard-Magnets: FePt, MnAl and MnGa

Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

scholarly article by Silvana Botti et al published 27 September 2012 in Physical Review B

New Route for "Cold-Passivation" of Defects in Tin-Based Oxides

Novel Structural Motifs in Low Energy Phases ofLiAlH4

scientific article published in Physical Review Letters

Prediction of a novel monoclinic carbon allotrope

Pressure-Tuneable Visible-Range Band Gap in the Ionic Spinel Tin Nitride

scientific article

Raman activity ofsp3carbon allotropes under pressure: A density functional theory study

scholarly article in Physical Review B, vol. 85 no. 15, April 2012

Rare-earth magnetic nitride perovskites

Reproducibility in density functional theory calculations of solids

scientific article

Stable structures of exohedrally decorated C60-fullerenes

scholarly article in Carbon, vol. 129, April 2018

Superconductivity in doped polyethylene at high pressure

Superconductivity in hydrogenated carbon nanostructures

Superconductivity in intercalated group-IV honeycomb structures ⬇️

scholarly article in Physical Review B, vol. 91 no. 5, February 2015

Superconductivity in layered binary silicides: A density functional theory study

scholarly article by José A. Flores-Livas et al published 4 November 2011 in Physical Review B

Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure ⬇️

scholarly article by José A. Flores-Livas et al published 26 January 2016 in Physical Review B

The Elephant in the Room of Density Functional Theory Calculations

scientific article

p Doping in Expanded Phases of ZnO: An Ab Initio Study

scientific article published in Physical Review Letters

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