|
Mario Barbatti is a group-leader researcher at the Max-Planck-Institut für Kohlenforschung. He earned a Ph.D. in physics from the Federal University of Rio de Janeiro in 2001 for his investigations on hydrogen ionic clusters. In 2008, he earned a Habilitation degree (Privatdozent) in quantum chemistry from the University of Vienna where he was a postdoc fellow from 2004 to 2010. The research in Barbatti's group is mainly focused on nonadiabatic processes that occur after molecular photoexcitation. These investigations are carried out by means of quantum chemistry calculations and excited-state dynamics simulations. Mario Barbatti is one of the main developers of the NEWTON-X program and collaborates to the development of the COLUMBUS program system. |
Besides their intrinsic physical-chemical interest, molecular photoinduced processes play a fundamental role in biological processes, such as the photostability of nucleobases. In the movie, the dynamics of UV-excited adenine is shown. |
Highlights
|
|
|
|
More about the research linesIn the pages below you can know more about the current and past research lines of Mario Barbatti in his current institution (MPI-Mülheim) and in the previous institutions where he was affiliated (Vienna, Rio). |
Open positionsPhD and postdoc levels:We will soon open new positions to work with photodynamics simulations and quantum chemistry. You can already send your application by e-mail to barbatti@mpi-muelheim.mpg.de. Don’t forget to attach your CV with at least one reference contact. Master (Diploma Arbeit):If you study chemistry, physics or a related field in a university near Mülheim (Düsseldorf, Duisburg-Essen, etc.) and would like to work in this field during your master or Diploma, just drop a message to barbatti@mpi-muelheim.mpg.de. Projects with very flexible time-schedules and possibility of working at distance are available in our group. |
Selected Publications
View full list of publications
M. Barbatti, The role of tautomers in the UV absorption of urocanic acid; PCCP 13, 4686 (2011).
doi:10.1039/C0CP02142C-
M. Barbatti, A. J. A. Aquino, J. J. Szymczak, D. Nachtigallova, P. Hobza, H. Lischka, On the relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases; PNAS 107, 21453 (2010).
doi:10.1073/pnas.1014982107 -
M. Barbatti, A. J. A. Aquino, H. Lischka, The UV absorption of nucleobases: semi-classical ab initio spectra simulations, PCCP 12, 4959 (2010).
doi:10.1039/B924956G -
M. Barbatti and H. Lischka, The non-adiabatic deactivation of 9H-adenine: a comprehensive picture based on mixed quantum-classical dynamics, J. Am. Chem. Soc. 130, 6831 (2008).
doi: 10.1021/ja800589p -
M. Barbatti, G. Granucci, M. Persico, M. Ruckenbauer, M. Vazdar, M. Eckert-Maksic, and H. Lischka, The on-the-fly surface-hopping program system NEWTON-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems, J. Photochem. Photobio. A 190, 228 (2007).
doi:10.1016/j.jphotochem.2006.12.008









