1. Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering, EPFL, CH-1015 Lausanne, Switzerland
2. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, EPFL, Rue de l’Industrie 17, CH-1951, Sion, Switzerland
3. IBM Research Zurich, Säumerstrasse 4, 8803 Rüschlikon, Switzerland