| An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions AA Mostofi, JR Yates, G Pizzi, YS Lee, I Souza, D Vanderbilt, N Marzari Computer Physics Communications 185 (8), 2309-2310, 2014 | 5679* | 2014 |
| An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions AA Mostofi, JR Yates, G Pizzi, YS Lee, I Souza, D Vanderbilt, N Marzari Computer Physics Communications 185 (8), 2309, 2014 | 5679* | 2014 |
| wannier90: A tool for obtaining maximally-localised Wannier functions AA Mostofi, JR Yates, YS Lee, I Souza, D Vanderbilt, N Marzari Computer physics communications 178 (9), 685-699, 2008 | 3897 | 2008 |
| Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ... Nature nanotechnology 13 (3), 246-252, 2018 | 1714 | 2018 |
| Wannier90 as a community code: new features and applications G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ... Journal of Physics: Condensed Matter 32 (16), 165902, 2020 | 1426 | 2020 |
| Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka Computational Materials Science 128, 140-184, 2017 | 687 | 2017 |
| AiiDA: automated interactive infrastructure and database for computational science G Pizzi, A Cepellotti, R Sabatini, N Marzari, B Kozinsky Computational Materials Science 111, 218-230, 2016 | 618 | 2016 |
| Performance of arsenene and antimonene double-gate MOSFETs from first principles G Pizzi, M Gibertini, E Dib, N Marzari, G Iannaccone, G Fiori Nature communications 7 (1), 12585, 2016 | 322 | 2016 |
| Materials Cloud, a platform for open computational science L Talirz, S Kumbhar, E Passaro, AV Yakutovich, V Granata, F Gargiulo, ... Scientific data 7 (1), 299, 2020 | 309 | 2020 |
| BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis G Pizzi, D Volja, B Kozinsky, M Fornari, N Marzari Computer Physics Communications 185 (1), 422-429, 2014 | 303 | 2014 |
| AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ... Scientific data 7 (1), 300, 2020 | 246 | 2020 |
| Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows M Uhrin, SP Huber, J Yu, N Marzari, G Pizzi Computational Materials Science 187, 110086, 2021 | 120 | 2021 |
| Radiative recombination and optical gain spectra in biaxially strained -type germanium M Virgilio, CL Manganelli, G Grosso, G Pizzi, G Capellini Physical Review B—Condensed Matter and Materials Physics 87 (23), 235313, 2013 | 94 | 2013 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 92 | 2021 |
| AiiDAlab–an ecosystem for developing, executing, and sharing scientific workflows AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ... Computational Materials Science 188, 110165, 2021 | 65 | 2021 |
| Tight-binding calculation of optical gain in tensile strained [001]-Ge/SiGe quantum wells G Pizzi, M Virgilio, G Grosso Nanotechnology 21 (5), 055202, 2009 | 60 | 2009 |
| Near-and far-infrared absorption and electronic structure of Ge-SiGe multiple quantum wells Y Busby, M De Seta, G Capellini, F Evangelisti, M Ortolani, M Virgilio, ... Physical Review B—Condensed Matter and Materials Physics 82 (20), 205317, 2010 | 51 | 2010 |
| Engineering polar discontinuities in honeycomb lattices M Gibertini, G Pizzi, N Marzari Nature communications 5 (1), 5157, 2014 | 49 | 2014 |
| Automated high-throughput Wannierisation V Vitale, G Pizzi, A Marrazzo, JR Yates, N Marzari, AA Mostofi npj Computational Materials 6 (1), 66, 2020 | 47 | 2020 |
| Workflow Engineering in Materials Design within the BATTERY 2030+ Project J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, ... Advanced Energy Materials 12 (17), 2102638, 2022 | 40 | 2022 |
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Verified email at epfl.ch
