New paper on the integration of AiiDA with the TCOD database#

A new paper describing the integration of AiiDA with the TCOD database is now online. The implementation is already part of AiiDA!

This gives the possibility to researchers to have full FAIR compliance for their research data.

Reference: A. Merkys, N. Mounet, A. Cepellotti, N. Marzari, S. Gra┼żulis, G. Pizzi, J. Cheminf. 9, 56 (2017), http://doi.org/10.1186/s13321-017-0242-y