1. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California92093, United States
2. Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington99352, United States
3. Materials Science and Engineering, University of California San Diego, La Jolla, California92093, United States
4. San Diego Supercomputer Center, University of California San Diego, La Jolla, California92093, United States