The Abinit project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
641 2020 Accurate band gaps of extended systems via efficient vertex corrections in GW W Chen, A Pasquarello
Physical Review B 92 (4), 041115, 2015
121 2015 Nonempirical hybrid functionals for band gaps and polaronic distortions in solids G Miceli, W Chen, I Reshetnyak, A Pasquarello
Physical Review B 97 (12), 121112, 2018
110 2018 Nonempirical dielectric-dependent hybrid functional with range separation for semiconductors and insulators W Chen, G Miceli, GM Rignanese, A Pasquarello
Physical Review Materials 2 (7), 073803, 2018
109 2018 Correspondence of defect energy levels in hybrid density functional theory and many-body perturbation theory W Chen, A Pasquarello
Physical Review B—Condensed Matter and Materials Physics 88 (11), 115104, 2013
98 2013 Band-edge levels in semiconductors and insulators: Hybrid density functional theory versus many-body perturbation theory W Chen, A Pasquarello
Physical Review B 86 (3), 035134, 2012
97 2012 Band-edge positions in GW: Effects of starting point and self-consistency W Chen, A Pasquarello
Physical Review B 90 (16), 165133, 2014
96 2014 Alignment of Redox Levels at Semiconductor–Water Interfaces Z Guo, F Ambrosio, W Chen, P Gono, A Pasquarello
Chemistry of Materials 30 (1), 94-111, 2018
95 2018 Ab initio electronic structure of liquid water W Chen, F Ambrosio, G Miceli, A Pasquarello
Physical Review Letters 117 (18), 186401, 2016
87 2016 High-Throughput Identification of Electrides from All Known Inorganic Materials LA Burton, F Ricci, W Chen, GM Rignanese, G Hautier
Chemistry of Materials 30 (21), 7521-7526, 2018
82 2018 Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: the actual role of cation disorder W Chen, DF Dahliah, GM Rignanese, G Hautier
Energy & Environmental Science, 2021
74 2021 A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS 3) and related substitutions A Faghaninia, G Yu, U Aydemir, M Wood, W Chen, GM Rignanese, ...
Physical Chemistry Chemical Physics 19 (9), 6743-6756, 2017
68 2017 First-principles determination of defect energy levels through hybrid density functionals and GW W Chen, A Pasquarello
Journal of Physics: Condensed Matter 27 (13), 133202, 2015
66 2015 Band offsets of lattice-matched semiconductor heterojunctions through hybrid functionals and G0W0 K Steiner, W Chen, A Pasquarello
Physical Review B 89 (20), 205309, 2014
60 2014 A map of single-phase high-entropy alloys W Chen, A Hilhorst, G Bokas, S Gorsse, PJ Jacques, G Hautier
Nature Communications 14 (1), 2856, 2023
58 2023 High-throughput computational discovery of In2Mn2O7 as a high Curie temperature ferromagnetic semiconductor for spintronics W Chen, J George, JB Varley, GM Rignanese, G Hautier
npj Computational Materials 5 (1), 72, 2019
50 2019 Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites T Bischoff, J Wiktor, W Chen, A Pasquarello
Physical Review Materials 3 (12), 123802, 2019
49 2019 Multistacked Al2O3∕ HfO2∕ SiO2 tunnel layer for high-density nonvolatile memory application W Chen, WJ Liu, M Zhang, SJ Ding, DW Zhang, MF Li
Applied physics letters 91 (2), 2007
49 2007 Color centers in NaCl by hybrid functionals W Chen, C Tegenkamp, H Pfnür, T Bredow
Physical Review B—Condensed Matter and Materials Physics 82 (10), 104106, 2010
46 2010 Accuracy of W Chen, A Pasquarello
Physical Review B 96 (2), 020101, 2017
44 2017 
Alfredo PasquarelloProfessor of Condensed Matter Physics, EPFLOverená e-mailová adresa na: epfl.ch