1. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Canada
2. Department of Computer Science, University of Toronto, Toronto, Canada
3. Center for Computational Engineering Science, RWTH Aachen University, Aachen, Germany
4. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts, United States
5. Vector Institute for Artificial Intelligence, Toronto, Canada
6. Canadian Institute for Advanced Research (CIFAR) Lebovic Fellow, Toronto, Canada