| 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 |
| 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 | 286 | 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 | 146 | 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 | 73 | 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 |
| 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 | 23 | 2020 |
| 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 | 22 | 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 | 20 | 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 | 9 | 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 |
| FeSi4P4 and CoSi3P3: 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 | | 2024 |