1. Department
of Chemistry, James Franck Institute, Institute for Biophysical Dynamics,
and Computation Institute, The University of Chicago, Chicago, Illinois 60637, United States
2. College
of Chemistry and Molecular Sciences, Hubei Key Lab of Electrochemical
Power Sources, Wuhan University, Wuhan 430072, China
3. Department
of Chemistry and Biochemistry, Northern Arizona University, Flagstaff, Arizona 86011, United States
4. Leadership
Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, United States