1. Oxford e-Research Centre, Department of Engineering Sciences, University of Oxford, Oxford OX13PJ, UK
2. Fraunhofer Institute for Applied Information Technology (FIT), 53754 Sankt Augustin, Germany
3. School of Chemistry, Faculty of Engineering and Physical Sciences, University of Southampton, SO17 1BJ, UK
4. Czech Technical University in Prague, Faculty of Information Technology (FIT CTU), 160 00 Prague 6, Czech Republic
5. Wageningen University, Wagengen 6700 HB, The Netherlands
6. Royal Holloway, University of London, London Surrey TW20 0EX, UK