1. An object-oriented scripting interface to a legacy electronic structure code;Bahn;Comput. Sci. Eng.,2002
2. Aten—An application for the creation, editing, and visualization of coordinates for glasses, liquids, crystals, and molecules;Youngs;J. Comput. Chem.,2010
3. An open chemical toolbox;O’Boyle;J. Cheminf.,2011
4. GNU General Public Licence, version 3. http://www.gnu.org/licenses/gpl.html (June 2007).
5. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials;Giannozzi;J. Phys.: Condens. Matter.,2009