1. Department of Chemistry, University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112, United States
2. Department of Chemistry, TU Berlin, Straße des 17. Juni 135, Sekr. C2, 10623 Berlin, Germany
3. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 St. George St., Toronto, Ontario M5S 3H6, Canada
4. Department of Computer Science, University of Toronto, 214 College St., Toronto, Ontario M5T 3A1, Canada
5. Vector Institute for Artificial Intelligence, 661 University Ave. Suite 710, Toronto, Ontario M5G 1M1, Canada
6. Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany
7. IBM Research Zurich, Säumerstrasse 4, 8803 Rüschlikon, Switzerland
8. Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield K10 2NA, United Kingdom
9. Lebovic Fellow, Canadian Institute for Advanced Research (CIFAR), 661 University Ave., Toronto, Ontario M5G, Canada