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
637 2020 ABINIT: Overview and focus on selected capabilities AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
288 2020 Transparent conducting materials discovery using high-throughput computing G Brunin, F Ricci, VA Ha, GM Rignanese, G Hautier
npj Computational Materials 5 (1), 63, 2019
147 2019 Electron-Phonon Beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids G Brunin, HPC Miranda, M Giantomassi, M Royo, M Stengel, ...
Physical Review Letters 125 (13), 136601, 2020
98 2020 Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles G Brunin, HPC Miranda, M Giantomassi, M Royo, M Stengel, ...
Physical Review B 102 (9), 094308, 2020
74 2020 High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers DF Dahliah, G Brunin, J George, VA Ha, GM Rignanese, G Hautier
Energy & Environmental Science, 2021
46 2021 SnP2 S6 : A Promising Infrared Nonlinear Optical Crystal with Strong Nonresonant Second Harmonic Generation and Phase-Matchability J He, SH Lee, F Naccarato, G Brunin, R Zu, Y Wang, L Miao, H Wang, ...
Acs Photonics 9 (5), 1724-1732, 2022
22 2022 Boron phosphide as a VA Ha, B Karasulu, R Maezono, G Brunin, JB Varley, GM Rignanese, ...
Physical Review Materials 4 (6), 065401, 2020
22 2020 Assessing the quality of relaxation-time approximations with fully-automated computations of phonon-limited mobilities R Claes, G Brunin, M Giantomassi, GM Rignanese, G Hautier
Physical Review B 106 (9), 094302, 2022
21 2022 High-performance transparent conducting oxides through small-polaron transport G Brunin, GM Rignanese, G Hautier
Physical Review Materials 3 (6), 064602, 2019
13 2019 MgSiP2 : An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold J He, Y Guan, V Trinquet, G Brunin, K Wang, R Robinson, R Zu, ...
Advanced Optical Materials 11 (24), 2301060, 2023
11 2023 Indirect light absorption model for highly strained silicon infrared sensors N Roisin, G Brunin, GM Rignanese, D Flandre, JP Raskin
Journal of Applied Physics 130 (5), 2021
6 2021 Second-harmonic generation tensors from high-throughput density-functional perturbation theory V Trinquet, F Naccarato, G Brunin, G Petretto, L Wirtz, G Hautier, ...
Scientific Data 11 (1), 757, 2024
3 2024 FeSi4 P4 and CoSi3 P3 : Hidden Gems of Ternary Tetrel Pnictides with Outstanding Nonlinear Optical Properties E Soto, SJ Lee, AP Porter, G Viswanathan, G Akopov, N Hewage, K Wu, ...
Chemistry of Materials 36 (18), 8854-8863, 2024
2 2024 Phonon-limited mobility for electrons and holes in highly-strained silicon N Roisin, G Brunin, GM Rignanese, D Flandre, JP Raskin, S Poncé
npj Computational Materials 10 (1), 242, 2024
1 2024 Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal H Wang, Y Xiong, H Padma, Y Wang, Z Wang, R Claes, G Brunin, L Min, ...
Nature communications 14 (1), 5769, 2023
1 2023 Phonon-limited electron mobility in Si, GaAs and GaP using plane waves and Bloch states G Brunin, HPC Miranda, M Giantomassi, M Royo, M Stengel, M Verstraete, ...
Physical Review. B, Condensed Matter and Materials Physics, 2020
1 2020 Perovskite Sr-doped LaCrO3: an ab initio study G Brunin
1 * Composition-Dependent Voltage-Driven OFF-ON Switching of Ferromagnetism in Co–Ni Oxide Microdisks A Arredondo-López, K Eiler, A Quintana, G Rius, I Spasojevic, A Salicio, ...
ACS Applied Materials & Interfaces, 2025
2025 Hydrogen Evolution Reaction of Electrodeposited Ni‐W Films in Acidic Medium and Performance Optimization Using Machine Learning R de Paz‐Castany, K Eiler, A Nicolenco, M Lekka, E García‐Lecina, ...
ChemSusChem, e202400444, 2024
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