| Materials Cloud, a platform for open computational science L Talirz, S Kumbhar, E Passaro, AV Yakutovich, V Granata, F Gargiulo, ... Scientific data 7 (1), 1-12, 2020 | 268 | 2020 |
| 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), 1-18, 2020 | 220 | 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 | 108 | 2021 |
| 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, 2102638, 2021 | 32 | 2021 |
| Oxygen-stabilized triangular defects in hexagonal boron nitride SP Huber, E Gullikson, RWE van de Kruijs, F Bijkerk, D Prendergast Physical Review B 92 (24), 245310, 2015 | 32 | 2015 |
| Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance R Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ... Journal of Chemical Education 98 (10), 3163-3171, 2021 | 24 | 2021 |
| Subwavelength single layer absorption resonance antireflection coatings SP Huber, RWE van de Kruijs, AE Yakshin, E Zoethout, KJ Boller, ... Optics express 22 (1), 490-497, 2014 | 24 | 2014 |
| 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), 1-12, 2021 | 20 | 2021 |
| Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development RF da Silva, H Casanova, K Chard, T Coleman, D Laney, D Ahn, S Jha, ... arXiv preprint arXiv:2106.05177, 2021 | 17 | 2021 |
| Plasma radiation studies in Magnum-PSI using resistive bolometry GG Van Eden, ML Reinke, S Brons, G Van Der Bijl, B Krijger, R Lavrijsen, ... Nuclear Fusion 58 (10), 106006, 2018 | 16 | 2018 |
| Self-healing in B12P2 through Mediated Defect Recombination SP Huber, E Gullikson, CD Frye, JH Edgar, RWE van de Kruijs, F Bijkerk, ... Chemistry of materials 28 (22), 8415-8428, 2016 | 12 | 2016 |
| Determining crystal phase purity in c-BP through X-ray absorption spectroscopy SP Huber, VV Medvedev, E Gullikson, B Padavala, JH Edgar, ... Physical chemistry chemical physics 19 (12), 8174-8187, 2017 | 11 | 2017 |
| Exploiting the P L2,3 absorption edge for optics: spectroscopic and structural characterization of cubic boron phosphide thin films SP Huber, VV Medvedev, J Meyer-Ilse, E Gullikson, B Padavala, ... Optical materials express 6 (12), 3946-3959, 2016 | 11 | 2016 |
| Detection of defect populations in superhard semiconductor boron subphosphide B 12 P 2 through X-ray absorption spectroscopy SP Huber, E Gullikson, J Meyer-Ilse, CD Frye, JH Edgar, ... Journal of Materials Chemistry A 5 (12), 5737-5749, 2017 | 9 | 2017 |
| Engineering optical constants for broadband single layer antireflection coatings SP Huber, RWE van de Kruijs, AE Yakshin, E Zoethout, F Bijkerk Advances in X-Ray/EUV Optics and Components VIII 8848, 884814, 2013 | 6 | 2013 |
| Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development R Ferreira da Silva, H Casanova, K Chard, T Coleman, D Laney, D Ahn, ... arXiv e-prints, arXiv: 2106.05177, 2021 | 1 | 2021 |
| kiwiPy: Robust, high-volume, messaging for big-data and computational science workflows M Uhrin, SP Huber arXiv preprint arXiv:2005.07475, 2020 | 1 | 2020 |
| Virtual teaching laboratories–hands-on at a distance R Kobayashi, TPM Gouman, NO Carstensen, TM Soini, N Marzari, ... | | 2021 |
| FAIR and Reproducible High-Throughput Workflows with AiiDA S Huber, N Marzari, G Pizzi Bulletin of the American Physical Society 66, 2021 | | 2021 |
| Generating a FAIR crystal-structure database with the AiiDA informatics infrastructure S Huber, M Bercx, N Hörmann, G Pizzi, N Marzari APS March Meeting Abstracts 2021, M41. 004, 2021 | | 2021 |
