1. Chaire de Simulation à l’Echelle Atomique (CSEA), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
2. Department of Physics and Competence Centre for Catalysis, Chalmers University of Technology, SE-412 96 Göteborg, Sweden
3. Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden
4. Materials Modeling and Development Laboratory, National University of Science and Technology “MISIS”, 119049 Moscow, Russia