1. Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH, United Kingdom
2. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom
3. Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom
4. Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
5. Argonne Leadership Computing Facility, Argonne National Laboratories, 9700 S. Cass Avenue Argonne, Lemont, Illinois 60439, USA