Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1362 2016 A perspective on conventional high-temperature superconductors at high pressure: Methods and materials JA Flores-Livas, L Boeri, A Sanna, G Profeta, R Arita, M Eremets
Physics Reports 856, 1-78, 2020
489 2020 Crystal structure of cold compressed graphite M Amsler, JA Flores-Livas, L Lehtovaara, F Balima, SA Ghasemi, ...
Physical review letters 108 (6), 065501, 2012
357 2012 Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride I Errea, F Belli, L Monacelli, A Sanna, T Koretsune, T Tadano, R Bianco, ...
Nature 578 (7793), 66-69, 2020
313 2020 High temperature superconductivity in sulfur and selenium hydrides at high pressure JA Flores-Livas, A Sanna, EKU Gross
The European Physical Journal B 89, 1-6, 2016
212 2016 Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications S Botti, JA Flores-Livas, M Amsler, S Goedecker, MAL Marques
Physical Review B—Condensed Matter and Materials Physics 86 (12), 121204, 2012
171 2012 Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure JA Flores-Livas, M Amsler, C Heil, A Sanna, L Boeri, G Profeta, ...
Physical Review B 93 (2), 020508, 2016
148 2016 The elephant in the room of density functional theory calculations SR Jensen, S Saha, JA Flores-Livas, W Huhn, V Blum, S Goedecker, ...
The journal of physical chemistry letters 8 (7), 1449-1457, 2017
140 2017 High-pressure structures of disilane and their superconducting properties JA Flores-Livas, M Amsler, TJ Lenosky, L Lehtovaara, S Botti, ...
Physical review letters 108 (11), 117004, 2012
115 2012 Ab initio Eliashberg theory: making genuine predictions of superconducting features A Sanna, JA Flores-Livas, A Davydov, G Profeta, K Dewhurst, S Sharma, ...
Journal of the Physical Society of Japan 87 (4), 041012, 2018
90 2018 Absence of conventional room-temperature superconductivity at high pressure in carbon-doped T Wang, M Hirayama, T Nomoto, T Koretsune, R Arita, JA Flores-Livas
Physical Review B 104 (6), 064510, 2021
65 2021 Interplay between structure and superconductivity: Metastable phases of phosphorus under pressure JA Flores-Livas, A Sanna, AP Drozdov, L Boeri, G Profeta, M Eremets, ...
Physical Review Materials 1 (2), 024802, 2017
64 2017 L. Paula o, CJ Pickard, W. Poelmans, MIJ Probert, K. Refson, M. Richter, G K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
M. Rignanese, S. Saha, M. Sche ler, M. Schlipf, K. Schwarz, S. Sharma, F …, 2016
63 2016 Computational acceleration of prospective dopant discovery in cuprous iodide M Graužinytė, S Botti, MAL Marques, S Goedecker, JA Flores-Livas
Physical Chemistry Chemical Physics 21 (35), 18839-18849, 2019
54 2019 Novel Structural Motifs in Low Energy Phases of M Amsler, JA Flores-Livas, TD Huan, S Botti, MAL Marques, S Goedecker
Physical review letters 108 (20), 205505, 2012
54 2012 Superconductivity in intercalated group-IV honeycomb structures JA Flores-Livas, A Sanna
Physical Review B 91 (5), 054508, 2015
42 2015 Carbon structures and defect planes in diamond at high pressure S Botti, M Amsler, JA Flores-Livas, P Ceria, S Goedecker, MAL Marques
Physical Review B—Condensed Matter and Materials Physics 88 (1), 014102, 2013
41 2013 Rare-earth magnetic nitride perovskites JA Flores-Livas, R Sarmiento-Pérez, S Botti, S Goedecker, MAL Marques
Journal of Physics: Materials 2 (2), 025003, 2019
37 2019 Pressure‐Tuneable Visible‐Range Band Gap in the Ionic Spinel Tin Nitride JSC Kearney, M Graužinytė, D Smith, D Sneed, C Childs, J Hinton, C Park, ...
Angewandte Chemie International Edition 57 (36), 11623-11628, 2018
34 2018 Stable structures of exohedrally decorated C60-fullerenes DS De, JA Flores-Livas, S Saha, L Genovese, S Goedecker
Carbon 129, 847-853, 2018
31 2018 
Stefan GoedeckerUniversity of Basel, SwitzerlandGeverifieerd e-mailadres voor unibas.ch