Short CV
Jochen Blumberger has been a Royal Society University Research Fellow at the University of Cambridge (2006-2009) and at University College London (2009-2014) where he was appointed Lecturer (2009), Reader (2013) and Professor of Chemical Physics (2015). JB’s work is focused on the development and application of molecular simulation methods including density functional theory (DFT) based-, classical- and quantum mechanics-molecular mechanics (QM/MM) simulation. He has made major contributions to the development of novel density functional theory based molecular dynamics methods for computer simulation of redox and electron transfer (ET) reactions. These works have opened up a new molecular-scale understanding of ET in solutions, redox proteins, organic materials and simple transition metal oxides. He currently serves as an Editorial Board Member for J. R. Soc. INTERFACE and is a Scientific Advisory Board Member for the Italian Institute of Technology.
His TUM Co-Host is Prof. Peter Mueller-Buschbaum.
Selected Awards
- 2016-2021, ERC Consolidator Grant
- 2006-2014, Royal Society University Research Fellowship
- 2001-2004, PhD Scholarship, Austrian Academy of Sciences
Research Interests
Molecular simulation, density functional theory, electron transfer, redox reactions, organic semiconductors, electrochemistry, oxide materials.
Selected Publications
- Blumberger, Jochen: Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions. Chemical Reviews 115 (20), 2015, 11191-11238.
- Fourmond, Vincent; Greco, Claudio; Sybirna, Kateryna; Baffert, Carole; Wang, Po-Hung; Ezanno, Pierre; Montefiori, Marco; Bruschi, Maurizio; Meynial-Salles, Isabelle; Soucaille, Philippe; Blumberger, Jochen; Bottin, Hervé; De Gioia, Luca; Léger, Christophe: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster. Nature Chemistry 6 (4), 2014, 336-342.
- Kubas, Adam; Hoffmann, Felix; Heck, Alexander; Oberhofer, Harald; Elstner, Marcus; Blumberger, Jochen: Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations. The Journal of Chemical Physics 140 (10), 2014, 104105.
- Breuer, M.; Rosso, K. M.; Blumberger, J.: Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentials. Proceedings of the National Academy of Sciences 111 (2), 2014, 611-616.
- Gajdos, Fruzsina; Oberhofer, Harald; Dupuis, Michel; Blumberger, Jochen: On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM). J. Phys. Chem. Lett. 4 (6), 2013, 1012-1017.
- McKenna, Keith P.; Blumberger, Jochen: Crossover from incoherent to coherent electron tunneling between defects in MgO. Phys. Rev. B 86 (24), 2012.
- Breuer, Marian; Zarzycki, Piotr; Blumberger, Jochen; Rosso, Kevin M.: Thermodynamics of Electron Flow in the Bacterial Deca-heme Cytochrome MtrF. J. Am. Chem. Soc. 134 (24), 2012, 9868-9871.
Publications as TUM-IAS-Fellow
