AiiDA plugin for NWChem¶
Description¶
The plugin is available at http://github.com/aiidateam/aiida-nwchem
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); https://doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.