1. Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
2. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
3. Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States
4. Accelerated Computing, NVIDIA Helsinki Oy, Porkkalankatu 1, 00180 Helsinki, Finland
5. Zapata Computing, Inc., 100 Federal Street, Boston, Massachusetts 02110, United States
6. Advanced Computing, Mathematics, and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
7. Department of Physics, University of Washington, Seattle, Washington 98195, United States
8. Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
9. Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States