1. STFC Daresbury Laboratory, UKRI, Keckwick Ln, Daresbury, Cheshire WA4 4AD, U.K.
2. High Performance Computing Center Stuttgart, Nobelstr. 19, 70569 Stuttgart, Germany
3. Department of Applied Science and Technology, Institute of Chemical Engineering, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
4. School of Chemical Engineering and Analytical Science, University of Manchester, Oxford Rd, Manchester M13 9PL, U.K.
5. School of Physics, University College Dublin, Dublin 4, Ireland
6. High Performance Computing, Helmut-Schmidt-Universität, Holstenhofweg 85, 22043 Hamburg, Germany
7. Fraunhofer Institute for Manufacturing Technology and Advanced Materials, Wiener Str. 12, 28359 Bremen, Germany
8. Thermodynamics and Process Engineering, Technische Universität Berlin, Ernst-Reuter-Platz 1, 10587 Berlin, Germany