1. Department of Computer Science, University of Toronto, Toronto M5S 1A1, Canada
2. Vector Institute for Artificial Intelligence, Toronto M5G 1M1, Canada
3. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
4. Department of Applied Mathematics & Statistics, Johns Hopkins University, Baltimore, Maryland 21218, United States
5. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto M5S 1A1, Canada
6. Department of Computer Science, University of Augsburg, Augsburg 86159, Germany
7. Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
8. Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
9. Department of Chemical Engineering and Applied Chemistry, University of Toronto, Toronto M5S 1A1, Canada
10. Department of Materials Science and Engineering, University of Toronto, Toronto M5S 1A1, Canada