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
487 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
221 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
121 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
80 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
58 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
32 2021 Boron phosphide as a VA Ha, B Karasulu, R Maezono, G Brunin, JB Varley, GM Rignanese, ...
Physical Review Materials 4 (6), 065401, 2020
17 2020 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
13 2022 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
12 2022 High-performance transparent conducting oxides through small-polaron transport G Brunin, GM Rignanese, G Hautier
Physical Review Materials 3 (6), 064602, 2019
12 2019 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
5 2021 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
3 2023 Perovskite Sr-doped LaCrO3: an ab initio study G Brunin
2 * 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 Second-harmonic generation tensors from high-throughput density-functional perturbation theory V Trinquet, F Naccarato, G Brunin, G Petretto, L Wirtz, G Hautier, ...
Bulletin of the American Physical Society, 2024
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
2023 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, ...
2023 Optical performances prediction of highly strained silicon photodetector N Roisin, G Brunin, GM Rignanese, D Flandre, JP Raskin
7th edition of the silicon photonics Summer School, 2022
2022 Automated computation of phonon-limited carrier mobilities in semiconductors G Brunin, R Claes, M Giantomassi, GM Rignanese, G Hautier
APS March Meeting Abstracts 2022, Q48. 009, 2022
2022 Impact of the transport formalism on the phonon-limited carrier mobilities in semiconductors R Claes, G Brunin, M Giantomassi, GM Rignanese, G Hautier
APS March Meeting Abstracts 2022, Q48. 005, 2022
2022 