Humboldt-Universität zu Berlin - Mathematisch-Naturwissenschaftliche Fakultät - Institut für Chemie

Selected Publications

The top 12 relevant publications since 2005 out of the total number of 250 publications - Total number of citations: 7761, h-factor: 48


Published Items in Each Year Citations in Each Year
Published Items Citations


1. V. Bonačić-Koutecký , R. Mitrić: "Theoretical Exploration of Ultrafast Dynamics in Atomic Clusters; Analysis and Control", Chem. Rev., 105, 11 (2005).

2. R. Mitrić, U. Werner, V. Bonačić-Koutecký: "Nonadiabatic Dynamics and Simulation of Time Resolved Photoelectron Spectra within TDDFT: Ultrafast Photoswitching in Benzylidenaniline", J. Chem. Phys., 129, 164118 (2008).

3. T. Tabarin, A. Kulesza, R. Antoine, R. Mitrić, M. Broyer, P. Dugourd, V. Bonačić-Koutecký: "Absorption Enhancement and Conformational Control of Peptides by Small Silver Clusters", Phys. Rev. Lett., 101, 213001 (2008).

4. R. Mitrić, J. Petersen, V. Bonačić-Koutecký,: "Field-induced surface hopping method for the simulation and control of ultrafast photodynamics", Phys. Rev. A 79, 053416 (2009).

5. R. Antoine, F. Bertorelle, M. Broyer, I. Compagnon, P. Dugourd, A. Kulesza, R. Mitrić , V. Bonačić- Koutecký: "Gas-phase synthesis and intense visible absorption of tryptophan-gold cations", Angew. Chem. Int. Ed. 48, 7829 (2009).

6. R. Mitrić, U. Werner, M. Wohlgemuth, G. Seifert, V. Bonačić-Koutecký: "Nonadiabatic dynamics within time-dependent density functional tight binding method", J. Phys. Chem. A, 113, 12700 (2009).

7. J. Petersen, R. Mitrić , V. Bonačić-Koutecký, J.-P. Wolf, J. Roslund, H. Rabitz, "How shaped light discriminates nearly identical biochromophores", Phys. Rev. Lett. 105, 073003 (2010).

8. T: Fuji, Y. Suzuki, T: Horio, T. Suzuki, R. Mitrić , U. Werner, V. Bonačić-Koutecký,: "Ultrafast photodynamics in furan", J. Chem. Phys. 133, 234303 (2010).

9. A. Kulesza, R. Mitrić , V. Bonačić-Koutecký, B. Belllina, I. Compagnon. M. Broyer, R. Antoine, P. Dugourd: "Doubly charged silver clusters stabilized by tryptophan: Ag42+ as an optical marker for monitoring particle growth ", Angew. Chem. Int. Ed. 50, 878 (2011).

10. M. Wohlgemuth, R. Mitrić , V. Bonačić-Koutecký: "Time-dependent density functional theory excited state nonadiabatic dynamics combined with QM/MM approach: Photodynamics of indole in water", J. Chem. Phys. 135, 054105 (2011).

11. M. Nößler, R. Mitrić, V. Bonačić–Koutecký: "Binary Neutral Metal Oxide Clusters with Oxygen Radical Centers for Catalytic Oxidation Reactions: From Cluster Models Towards Surfaces", J. Phys. Chem. C 116, 11570(2012).

12. F. Bertorelle, R. Hamouda, D. Rayane, M. Broyer, R. Antoine, Ph. Dugourd, L. Gell, A. Kulesza, R. Mitrić,Bonačić–Koutecký: "Synthesis, characterization and optical properties of low nuclearity liganded silver clusters: Ag31(SG)19 and AG15(SG)11", Nanoscale 5, 5637 (2013).

Selected book chapters:

V. Bonačić-Koutecký , R. Mitrić, T. Bernhardt, L. Wöste, J. Jortner: ''Analysis and Control of Ultrafast Dynamics in Clusters: Theory and Experiment'', Adv. Chem. Phys., 132, 179 (2006).

Lindinger, V. Bonačić-Koutecký , R. Mitrić, D. Tannor, C. P. Koch, V. Engel, T. M. Bernhardt, J. Jortner, A. Mirabal, L. Wöste: ''Analysis and control of small isolated molecular systems'', in Analysis and Control of Ultrafast Photoinduced Reactions, Eds. O. Kühn and L. Wöste, Springer Series in Chemical Physics, Springer- Verlag, Berlin Heidelberg 2007.

V. Bonačić-Koutecký , B. Brauer, F. Burmeister, W. Eberhardt, R. B. Gerber, L. Gonzalez, G. von Helden, A. Kammrath, S. K. Kim, J. Manz, G. Meijer, R. Mitrić, M. Neeb, D. M. Neumark, T. Schultz, J. Stanzel: "Complex systems in the gas phase" in Analysis and Control of Ultrafast Photoinduced Reactions, Eds. O. Kühn and L. Wöste, Springer Series in Chemical Physics, Springer-Verlag, Berlin Heidelberg 2007.

V. Bonačić-Koutecký , R. Mitrić, J. Pittner: "'Analysis and Control of Ultrafast Dynamics in Clusters'', in Femtochemistry VII, Ed. by A. W. Castleman, Jr., Elsevier 2006.

R. Mitrić, J. Petersen, V. Bonačić-Koutecký : "Multistate nonadiabatic dynamics "on the fly" in complex systems and its control by laser fields", in Conical intersections: computation, theory and experiment, Advanced Series in Physical Chemistry Vol. 17, Ed. by H. Köppel, W. Domcke and D. Yarkony, World Scientific 2011.

R. Mitrić, J. Petersen, U. Werner, V. Bonačić-Koutecký : "Theoretical methods for nonadiabatic dynamics "on the fly" in complex systems and its control by laser fields", in Advances in the Theory of Quantum Systems in Chemistry and Physics, Series: Progress in Theoretical Chemistry and Physics, Vol. 22, Ed. by P. E. Hoggan, E. J. Brändas, J. Maruani, P. Piecuch, G. Delgado-Barrio (Hrsg.), Springer 2011.

Selected invited presentations out of more than 50 invited talks since 2005:

  • Gordon Conference: "Quantum Control of Light and Matter"2005 (USA), invited talk.
  • Gordon Conference: "Clusters, Nanoparticles, Nanostructures" 2005 (USA), invited talk.
  • "Femtochemistry and Femtobiology VII", Washington DC (2005), invited talk.
  • European Gordon Conference "Size Selected Clusters" Brand (Austria), (2005), invited talk.
  • "Reactions in Solution and Biological Systems: Potential Surfaces and Dynamics", Kyoto (2006), invited talk.
  • "Genesis research institute in cluster science: Breakthrough advances in cluster science", Nagoya (Japan), (2006, 2012) (invited talks).
  • "Theory of Atomic and Molecular Clusters V", Richmond (USA), (2007), invited talk.
  • "Femtochemistry and Femtobiology VIII", Oxford (UK), (2007), invited talk.
  • "International symposium on small particles and inorganic clusters ISSPIC XIV", Valladolid (Spain), (2008), invited talk.
  • The 50th Sanibel Symposium: "Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology", USA, 2010, plenary talk.
  • Gordon Conference: Clusters, Nanocrystals and Nanostructures, USA, 2011, Invited talk.
  • "14th ICQC International Congress of Quantum Chemistry", Boulder, Colorado (USA), 2012, invited talk.
  • "4th EuChemMS Chemistry Congress", Prague (Czech Republic), 2012, plenary talk.
  • "S3C Symposium on Size Selected Clusters", Davos (Switzerland), 2013, invited talk.

Organization of international conferences:

  • "Theory of Atomic and Molecular Clusters III", Berlin (Germany), (1999).
  • "International Workshop on Spin and Optoelectronics" Science campus Berlin (Adlershof), 2007.
  • "Spring meeting of the American Physical Society", Session on quantum control, New Orleans (USA), 2008.
  • NATO Advanced Workshop: MENNE (Multidisciplinary Endeavour in Nanobiology, Nanosciences and Environment), Split, Croatia, April 2012.
  • Member of the international advisory board of the International Symposium on Small Particles and Inorganic Clusters (ISSPIC) and the Theory of Atomic and Molecular Clusters (TAMC) meeting.

Major contributions to early carriers of excellent researchers

A special emphasis on the promotion of young talented researchers has resulted in a number of successful scientific carriers: Prof. Maurizio Persico, Pisa, Italy, is now an internationally recognized expert in the field of theoretical photochemistry and dynamics, Dr. Klaus Schöffel has a leading position in industrial catalysis research field and is managing director of Norske Skogs biofuel subsidiary Xynergo AS. Dr. Jiri Pittner holds a leading research position at the renowned Heyrovský institute of the Czech Academy of Sciences. Prof. Dr. Michael Hartmann holds a chair at the private OTA Hochschule, Berlin. Prof. Dr. Roland Mitric after leading a research group at the Free University Berlin in the frame of the prestigious Emmy Noether programme of the Deutsche Forschungsgemeinschaft recently became Professor at Julius-Maximilians-Universität Würzburg.


  • Development of new generation of nanostructured biosensing materials
  • Metal clusters for optical detection of biological aging
  • Development of new materials for solar cells
  • Design of new catalythic materials for fuel cell feed gas purification