1. Department of Applied Physics, Aalto University, 00076 Aalto, Espoo, Finland.
2. Department of Computer Science, Aalto University, 00076 Aalto, Espoo, Finland.
3. Nanolayers Research Computing Ltd., London, UK.
4. Graduate School Materials Science in Mainz, Staudinger Weg 9, 55128, Germany.
5. WPI Nano Life Science Institute (WPI-NanoLSI), Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan.