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
476 2020 Accurate band gaps of extended systems via efficient vertex corrections in GW W Chen, A Pasquarello
Physical Review B 92 (4), 041115, 2015
107 2015 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
94 2012 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
91 2018 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
88 2018 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
86 2018 Band-edge positions in GW: Effects of starting point and self-consistency W Chen, A Pasquarello
Physical Review B 90 (16), 165133, 2014
84 2014 Correspondence of defect energy levels in hybrid density functional theory and many-body perturbation theory W Chen, A Pasquarello
Physical Review B 88 (11), 115104, 2013
83 2013 Ab initio electronic structure of liquid water W Chen, F Ambrosio, G Miceli, A Pasquarello
Physical Review Letters 117 (18), 186401, 2016
79 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
71 2018 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
61 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
58 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
56 2014 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
50 2007 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
48 2021 First principles calculations of oxygen vacancy passivation by fluorine in hafnium oxide W Chen, QQ Sun, SJ Ding, DW Zhang, LK Wang
Applied physics letters 89 (15), 2006
44 2006 Color centers in NaCl by hybrid functionals W Chen, C Tegenkamp, H Pfnür, T Bredow
Physical Review B 82 (10), 104106, 2010
41 2010 Atomic layer deposition of hafnium oxide from tetrakis (ethylmethylamino) hafnium and water precursors W Chen, QQ Sun, M Xu, SJ Ding, DW Zhang, LK Wang
The Journal of Physical Chemistry C 111 (17), 6495-6499, 2007
40 2007 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
39 2019 Accuracy of for calculating defect energy levels in solids W Chen, A Pasquarello
Physical Review B 96 (2), 020101, 2017
36 2017