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 | 640 | 2020 |
Accurate band gaps of extended systems via efficient vertex corrections in GW W Chen, A Pasquarello Physical Review B 92 (4), 041115, 2015 | 117 | 2015 |
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 |
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 | 108 | 2018 |
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 | 98 | 2012 |
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 | 96 | 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 | 96 | 2013 |
Band-edge positions in GW: Effects of starting point and self-consistency W Chen, A Pasquarello Physical Review B 90 (16), 165133, 2014 | 93 | 2014 |
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 |
Ab initio electronic structure of liquid water W Chen, F Ambrosio, G Miceli, A Pasquarello Physical Review Letters 117 (18), 186401, 2016 | 82 | 2016 |
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 | 64 | 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 | 56 | 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 |
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 |
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 | 47 | 2019 |
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 |
Physical and electrical characterization of atomic-layer-deposited Ru nanocrystals embedded into Al2O3 for memory applications M Zhang, W Chen, SJ Ding, ZY Liu, Y Huang, ZW Liao, DW Zhang Journal of Physics D: Applied Physics 41 (3), 032007, 2008 | 46 | 2008 |