| 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 | 636 | 2020 |
| FireWorks: a dynamic workflow system designed for high‐throughput applications A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ... Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015 | 589 | 2015 |
| 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 | 285 | 2020 |
| High-throughput density-functional perturbation theory phonons for inorganic materials G Petretto, S Dwaraknath, H PC Miranda, D Winston, M Giantomassi, ... Scientific data 5 (1), 1-12, 2018 | 192 | 2018 |
| Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization G Wan, JW Freeland, J Kloppenburg, G Petretto, JN Nelson, DY Kuo, ... Science Advances 7 (2), eabc7323, 2021 | 189 | 2021 |
| An unlikely route to low lattice thermal conductivity: small atoms in a simple layered structure W Peng, G Petretto, GM Rignanese, G Hautier, A Zevalkink Joule 2 (9), 1879-1893, 2018 | 152 | 2018 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 101 | 2021 |
| The limited predictive power of the Pauling rules J George, D Waroquiers, D Di Stefano, G Petretto, GM Rignanese, ... Angewandte Chemie, 2019 | 85 | 2019 |
| Oxygen evolution reaction electrocatalysis on SrIrO 3 grown using molecular beam epitaxy R Tang, Y Nie, JK Kawasaki, DY Kuo, G Petretto, G Hautier, ... Journal of Materials Chemistry A 4 (18), 6831-6836, 2016 | 79 | 2016 |
| Metal phosphides as potential thermoelectric materials JH Pöhls, A Faghaninia, G Petretto, U Aydemir, F Ricci, G Li, M Wood, ... Journal of Materials Chemistry C 5 (47), 12441-12456, 2017 | 64 | 2017 |
| Influence of Strain on the Surface–Oxygen Interaction and the Oxygen Evolution Reaction of SrIrO3 DY Kuo, CJ Eom, JK Kawasaki, G Petretto, JN Nelson, G Hautier, ... The Journal of Physical Chemistry C 122 (8), 4359-4364, 2018 | 51 | 2018 |
| Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides NA Pike, B Van Troeye, A Dewandre, G Petretto, X Gonze, GM Rignanese, ... Physical Review B 95 (20), 201106, 2017 | 49 | 2017 |
| Adiabatic charge control in a single donor atom transistor E Prati, M Belli, S Cocco, G Petretto, M Fanciulli Applied physics letters 98 (5), 2011 | 40 | 2011 |
| Comprehensive Ab Initio Study of Doping in Bulk ZnO with Group-V Elements G Petretto, F Bruneval Physical Review Applied 1 (2), 024005, 2014 | 36 | 2014 |
| How to verify the precision of density-functional-theory implementations via reproducible and universal workflows E Bosoni, L Beal, M Bercx, P Blaha, S Blügel, J Bröder, M Callsen, ... Nature Reviews Physics 6 (1), 45-58, 2024 | 32 | 2024 |
| Automated Bonding Analysis with Crystal Orbital Hamilton Populations J George, G Petretto, A Naik, M Esters, AJ Jackson, R Nelson, ... ChemPlusChem 87 (11), e202200123, 2022 | 29 | 2022 |
| Common workflows for computing material properties using different quantum engines SP Huber, E Bosoni, M Bercx, J Bröder, A Degomme, V Dikan, K Eimre, ... npj Computational Materials 7 (1), 136, 2021 | 28 | 2021 |
| Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective G Petretto, X Gonze, G Hautier, GM Rignanese Computational Materials Science 144, 331-337, 2018 | 26 | 2018 |
| Switching quantum transport in a three donors silicon fin-field effect transistor G Leti, E Prati, M Belli, G Petretto, M Fanciulli, M Vinet, R Wacquez, ... Applied Physics Letters 99 (24), 2011 | 25 | 2011 |
| Ferroelectricity and multiferroicity in anti–Ruddlesden–Popper structures M Markov, L Alaerts, HPC Miranda, G Petretto, W Chen, J George, ... Proceedings of the National Academy of Sciences 118 (17), e2026020118, 2021 | 23 | 2021 |
