1. Department of Materials Science and Engineering, University of California 1 , Berkeley, California 94720, USA
2. Materials Sciences Division, Lawrence Berkeley National Laboratory 2 , Berkeley, California 94720, USA
3. NERSC, Lawrence Berkeley National Laboratory 3 , Berkeley, California 94720, USA
4. Computational Research Division, Lawrence Berkeley National Laboratory 4 , Berkeley, California 94720, USA
5. Department of Physics, University of California 5 , Berkeley, California 94720, USA
6. Department of Chemistry, University of California 6 , Berkeley, California 94720, USA
7. Chemical Sciences Division, Lawrence Berkeley National Laboratory 7 , Berkeley, California 94720, USA
8. Division of Chemistry and Chemical Engineering, California Institute of Technology 8 , Pasadena, California 91125, USA