1. Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
2. Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
3. Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States
4. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
5. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States