1. Laboratory
of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland
2. Joint
BioEnergy Institute, Lawrence Berkeley National Laboratory, Emeryville, California 94618, United States
3. National Competence Center of Research (NCCR) MARVEL—Materials’ Revolution: Computational Design and Discovery of Novel Materials, 1015 Lausanne, Switzerland