1. Department of Science and High Technology and INSTM, University of Insubria, Via Valleggio 9, 22100 Como, Italy
2. CINECA Supercomputing Centre, Department of SuperComputing Applications and Innovation, HPC-SCAI, 40033 Casalecchio di Reno, Italy
3. Instituto de Tecnología Química, Universitat Politècnica de València, Consejo Superior de Investigaciones Científicas, Avda. de los Naranjos, s/n, 46022 Valencia, Spain
4. Department of Chemistry, NIS Center and INSTM, University of Turin, Via Gioacchino Quarello 15A, I-10135 Torino, Italy