| The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table MJ van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ... Computer Physics Communications 226, 39-54, 2018 | 1643 | 2018 |
| Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016 | 1575* | 2016 |
| Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ... Computer physics communications 205, 106-131, 2016 | 872 | 2016 |
| 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 |
| GW100: Benchmarking G0W0 for molecular systems MJ van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ... Journal of chemical theory and computation 11 (12), 5665-5687, 2015 | 395 | 2015 |
| The GW-Method for Quantum Chemistry Applications: Theory and Implementation MJ van Setten, F Weigend, F Evers Journal of chemical theory and computation 9 (1), 232-246, 2013 | 307 | 2013 |
| 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), 124102, 2020 | 288 | 2020 |
| Thermodynamic stability of boron: The role of defects and zero point motion MJ van Setten, MA Uijttewaal, GA de Wijs, RA de Groot Journal of the American Chemical Society 129 (9), 2458-2465, 2007 | 203 | 2007 |
| High-throughput densityfunctional perturbation theory phonons for inorganic materials. G Petretto, S Dwaraknath, HPC Miranda, D Winston, M Giantomassi, ... Scientific Data 5, 180065, 2018 | 191 | 2018 |
| Electronic structure and optical properties of lightweight metal hydrides MJ van Setten, VA Popa, GA de Wijs, G Brocks Physical Review B 75 (3), 035204, 2007 | 178 | 2007 |
| Quasi-Particle Self-Consistent GW for Molecules F Kaplan, ME Harding, C Seiler, F Weigend, F Evers, MJ van Setten Journal of chemical theory and computation 12 (6), 2528-2541, 2016 | 157 | 2016 |
| Benchmark of GW Approaches for the GW100 Test Set F Caruso, M Dauth, MJ van Setten, P Rinke Journal of chemical theory and computation 12 (10), 5076-5087, 2016 | 145 | 2016 |
| High-throughput design of non-oxide p-type transparent conducting materials: data mining, search strategy, and identification of boron phosphide JB Varley, A Miglio, VA Ha, MJ van Setten, GM Rignanese, G Hautier Chemistry of Materials 29 (6), 2568-2573, 2017 | 142 | 2017 |
| Capacitor-less, long-retention (> 400s) DRAM cell paving the way towards low-power and high-density monolithic 3D DRAM A Belmonte, H Oh, N Rassoul, GL Donadio, J Mitard, H Dekkers, ... 2020 IEEE International Electron Devices Meeting (IEDM), 28.2. 1-28.2. 4, 2020 | 133 | 2020 |
| Core-level binding energies from GW: An efficient full-frequency approach within a localized basis D Golze, J Wilhelm, MJ van Setten, P Rinke Journal of chemical theory and computation 14 (9), 4856-4869, 2018 | 120 | 2018 |
| LiBH4− Mg(BH4)2: a physical mixture of metal borohydrides as hydrogen storage material EG Bardají, Z Zhao-Karger, N Boucharat, A Nale, MJ van Setten, ... The Journal of Physical Chemistry C 115 (13), 6095-6101, 2011 | 108 | 2011 |
| GW100: a plane wave perspective for small molecules E Maggio, P Liu, MJ van Setten, G Kresse Journal of Chemical Theory and Computation 13 (2), 635-648, 2017 | 101 | 2017 |
| Ab initio study of the effects of transition metal doping of Mg2NiH4 MJ van Setten, GA De Wijs, G Brocks Physical Review B 76 (7), 075125, 2007 | 82 | 2007 |
| A density functional study of α-Mg(BH4)2 MJ van Setten, GA de Wijs, M Fichtner, G Brocks Chemistry of Materials 20 (15), 4952-4956, 2008 | 81* | 2008 |
| Automation methodologies and large-scale validation for GW: Towards high-throughput GW calculations MJ van Setten, M Giantomassi, X Gonze, GM Rignanese, G Hautier Physical Review B 96 (15), 155207, 2017 | 74 | 2017 |
Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainEmail được xác minh tại uclouvain.be