AiiDA plugin for NWChem



The plugin is available at

NWChem is an open-source high performance computational chemistry tool.

If you use AiiDA or this plugin for your research, please cite the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016);;

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