Machine Learning of Optical Properties
Dependencies: numpy (MIT) scipy matplotlib (BSD-style) pymatgen (MIT) mp-contribs (MIT) aiida (MIT) requests (Apache 2.0)
Data sources: Materials Cloud (https://doi.org/10.1038/s41597-020-00637-5) Talirz, L., Kumbhar, S., Passaro, E. et al. Materials Cloud, a platform for open computational science. Sci Data 7, 299 (2020).
2D database
https://doi.org/10.24435/materialscloud:36-nd, Davide Campi, Nicolas Mounet, Marco Gibertini, Giovanni Pizzi, Nicola Marzari, The Materials Cloud 2D database (MC2D), Materials Cloud Archive 2022.84 (2022), https://doi.org/10.24435/materialscloud:36-nd.
and (data) https://archive.materialscloud.org/record/2020.158 (Creative Commons Attribution 4.0 International, https://creativecommons.org/licenses/by/4.0/legalcode) Nicolas Mounet, Marco Gibertini, Philippe Schwaller, Davide Campi, Andrius Merkys, Antimo Marrazzo, Thibault Sohier, Ivano E. Castelli, Andrea Cepellotti, Giovanni Pizzi, Nicola Marzari, Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds, Materials Cloud Archive 2020.158 (2020), https://doi.org/10.24435/materialscloud:az-b2 Expansion:
https://pubs.acs.org/doi/10.1021/acsnano.2c11510 Campi, D., Mounet, N., Gibertini, M., Pizzi, G., & Marzari, N. (2023). Expansion of the materials cloud 2D database. ACS nano, 17(12), 11268-11278.
and data https://archive.materialscloud.org/record/2022.84 (Creative Commons Attribution 4.0 International, https://creativecommons.org/licenses/by/4.0/legalcode) Davide Campi, Nicolas Mounet, Marco Gibertini, Giovanni Pizzi, Nicola Marzari, The Materials Cloud 2D database (MC2D), Materials Cloud Archive 2022.84 (2022), https://doi.org/10.24435/materialscloud:36-nd