1. Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States
2. Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States
3. Department of Chemistry and the Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Langelandsgade 140, 8000 Aarhus, Denmark
4. Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
5. Center for Extreme Data Management Analysis and Visualization (CEDMAV) Institute, University of Utah, 72 South Central Campus Drive, Salt Lake City, Utah 84112, United States