A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD

Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Grazulis, Giovanni Pizzi. A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. J. Cheminformatics, 9(1), 2017. [doi]

Abstract

Abstract is missing.