| 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 | 326 | 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), 300, 2020 | 261 | 2020 |
| Simple data and workflow management with the signac framework CS Adorf, PM Dodd, V Ramasubramani, SC Glotzer Computational Materials Science 146, 220-229, 2018 | 139 | 2018 |
| 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 | 64 | 2021 |
| Analysis of self-assembly pathways with unsupervised machine learning algorithms CS Adorf, TC Moore, YJU Melle, SC Glotzer The Journal of Physical Chemistry B 124 (1), 69-78, 2019 | 51 | 2019 |
| Influence of softness on the stability of binary colloidal crystals RA LaCour, CS Adorf, J Dshemuchadse, SC Glotzer ACS nano 13 (12), 13829-13842, 2019 | 41 | 2019 |
| Inverse design of simple pair potentials for the self-assembly of complex structures CS Adorf, J Antonaglia, J Dshemuchadse, SC Glotzer The Journal of chemical physics 149 (20), 2018 | 38 | 2018 |
| signac: A Python framework for data and workflow management V Ramasubramani, C Adorf, P Dodd, B Dice, S Glotzer Proceedings of the Python in Science Conference, 2018 | 27 | 2018 |
| 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 | 26 | 2021 |
| How to professionally develop reusable scientific software—and when not to CS Adorf, V Ramasubramani, JA Anderson, SC Glotzer Computing in Science & Engineering 21 (2), 66-79, 2018 | 14 | 2018 |
| Data driven analytics of porous battery microstructures A Deva, V Krs, LD Robinson, CS Adorf, B Benes, SC Glotzer, RE García Energy & Environmental Science 14 (4), 2485-2493, 2021 | 13 | 2021 |
| Glotzerlab/signac CS Adorf, V Ramasubramani, BD Dice, MM Henry, PM Dodd, SC Glotzer Zenodo, Dataset https://doi. org/https://doi. org/10.5281/zenodo2581327, 2019 | 10 | 2019 |
| Materials cloud, a platform for open computational science. Sci Data 7: 299 L Talirz, S Kumbhar, E Passaro, AV Yakutovich, V Granata, F Gargiulo, ... | 8* | 2020 |
| Signac: Data Management and Workflows for Computational Researchers B Dice, B Butler, V Ramasubramani, A Travitz, M Henry, H Ojha, K Wang, ... Proceedings of the Python in Science Conference, 2021 | 6 | 2021 |
| glotzerlab/signac, 2019 CS Adorf, V Ramasubramani, BD Dice, MM Henry, PM Dodd, SC Glotzer | 6 | |
| The rule of four: anomalous distributions in the stoichiometries of inorganic compounds E Gazzarrini, RK Cersonsky, M Bercx, CS Adorf, N Marzari Npj Computational Materials 10 (1), 73, 2024 | 2 | 2024 |
| The rule of four: anomalous stoichiometries of inorganic compounds E Gazzarrini, R Cersonsky, M Bercx, S Adorf, N Marzari | 2 | 2023 |
| Virtual teaching laboratories–hands-on at a distance R Kobayashi, TPM Gouman, NO Carstensen, TM Soini, N Marzari, ... | | 2021 |
| Discovering new materials with the AiiDAlab platform: examples from a combined computational/experimental research laboratory AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ... APS March Meeting Abstracts 2021, M41. 003, 2021 | | 2021 |
| AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance E Passaro, C Johnston, A Merkys, A Cepellotti, N Mounet, N Marzari, ... | | 2020 |
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Email verificata su epfl.ch