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 | 502 | 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 | 231 | 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 | 124 | 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 | 34 | 2021 |
Boron phosphide as a -type transparent conductor: Optical absorption and transport through electron-phonon coupling VA Ha, B Karasulu, R Maezono, G Brunin, JB Varley, GM Rignanese, ... Physical Review Materials 4 (6), 065401, 2020 | 19 | 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 | 13 | 2022 |
SnP2S6: 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 |
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 |