1. SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
2. Computational Science Initiative, Brookhaven National Laboratory, Upton, New York 11973, United States
3. National Renewable Energy Laboratory, Golden, Colorado 80401, United States
4. Department Chemie, Universität Paderborn, Warburger Str. 100, 33098 Paderborn, Germany
5. Department of Chemical and Biological Engineering, Materials Science and Engineering Program, and the Renewable and Sustainable Energy Institute, University of Colorado Boulder, Boulder, Colorado 80309, United States