1. Department of Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich, Switzerland
2. Barcelona Supercomputing Center (BSC), Plaça d’Eusebi Güell 1-3, 08034 Barcelona, Spain
3. School of Chemical and Process Engineering and School of Chemistry, University of Leeds, Leeds LS2 9JT, U.K.
4. SuperSTEM Laboratory, SciTech Daresbury Campus, Daresbury WA4 4AD, U.K.
5. Department of Physics, University of York, Heslington, York YO10 5DD, U.K.
6. School of Chemical and Process Engineering and School of Physics, University of Leeds, Leeds LS2 9JT, U.K.
7. Institute of Chemical Research of Catalonia and The Barcelona Institute of Science and Technology, 43007 Tarragona, Spain