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

Theoretical Chemistry


Prof. Dr. Dr. h.c. Vlasta Bonačić-Koutecký


Selected Publications


Humboldt-Universität zu Berlin
Department of Chemistry

Brook-Taylor-Str. 2, 12489 Berlin
Tel: ++49-30-2093 5579
Fax: ++49-30-2093 5573
Interdisciplinary Center for Advanced Science and Technology(ICAST) at the University of Split
Mestrovićevo Šetalište 45, 21000 Split, Croatia
Tel. ++385 21 555 602
Fax ++385 21 555 605


Curriculum Vitae
2010 Director of the Interdisciplinary Center for Advanced Science and Technology (ICAST) at the University of Split
2006 Fellowship of Japan Society for the promotion of Science
2004 Professeur invité CNRS, Lyon
1999 Miller Professor in "The Miller Institute for basic research in Science", University of California at Berkeley
since 1994 Professor of Physical and Theoretical Chemistry at the Humboldt-Universität zu Berlin
1982-1994 Professor in Chemistry Department at the Freie Universität Berlin
1979-1980 Researcher at Gesamthochschule Wuppertal
1977 Habilitation in Theoretical Chemistry at the Freie Universität Berlin
1973-1979 Assistant Professor in Chemistry Department at the Freie Universität Berlin
1971-1973 Postdoctoral research at the Belfer Graduate School of Science, Yeshiva University, New York, USA
1968-1971 PhD work at Chemistry Department of the Johns Hopkins University, Baltimore, USA
1968 Master Degree in Theoretical Chemistry, University of Zagreb
1967 Diploma in Physics at Natural Science Faculty, University of Zagreb


Honors, awards and activities in the scientific community
2010 Founder of the Interdisciplinary Center for Advanced Science and Technology (ICAST) at the University of Split
2009 Honorary degree (Dr. h.c.) at the University Lyon 1, France
2005-2010 Member of the Scientific Advisory Board of BESSY (Synchrotron source in Berlin)
2004-2009 Coordinator of Research Training Group GRK 1025 "Fundamentals and functionality of size and interface controlled materials: spin- and optoelectronics"
2003-2011 Member of Medical Senate of Freie Universität Berlin and Humboldt- Universität for the Charité
2001-2010 Member of the collaborative research center Sfb 450 "Analysis and Control of Ultrafast Photoinduced Reactions"; since 2008 Vice-Coordinator
since 2001 Member of "Center of Biophysics and Bioinformatics" of the Humboldt- University
2001-2009 Coordinator of International Humboldt Graduate School on "Structure, Function and Application of New Materials"
1998-2007 Member of Academic Senate of Humboldt-Universität zu Berlin
1996-1998 Dean of Faculty of Mathematics and Natural Sciences I of the Humboldt- Universität zu Berlin
Referee of grant agencies (national and international); Co-Editor of Chemical Physics Letters and Journal of Physical Chemistry; Chair and/or member of the program committees of numerous international conferences.


Major research areas

- Theoretical photochemistry and photophysics
- Chemistry and physics of metal clusters and cluster-biomolecule hybrids
- Quantum chemical adiabatic and nonadiabatic molecular dynamics "on the fly" in the frame of TDDFT
- Semiclassical dynamics
- Theory and methods for simulation of time-resolved spectroscopies
- Optimal control and laser selective photochemistry
- Development of cluster-based catalytic, optical and biosensing materials



Numerous cooperations with universities and research institutions in Germany and worldwide, in particular: Collaborative Research Center SFB 450 (FU Berlin), DFG Research Training groups 1025 (HU Berlin), International Humboldt Graduate School, DFG Research group 1153, DFG priority program 1391, DFG research unit FOR 1282, Tel Aviv University (Prof. J. Jortner, Humboldt awardee), University of Boulder (Prof. J. Michl, Humboldt awardee), Pennsylvania State University (Prof. A.W. Castleman Jr., Humboldt awardee), University of Milan (Prof. P. Fantucci, Humboldt awardee), University of Lyon (Prof. M. Broyer, Humboldt awardee, Dr. Philippe Dugourd), University of Ulm (Dr. Thorsten Bernhardt).


Funding ID

DFG priority program SPP 1391 "Ultrafast Nanooptics"
Application and elongation: July 2009-July 2015.
Title of the project: "Optimal control of light propagation and energy transfer in silver-cluster nanostructures at graphene"
Total funding amount: 200 000 Euro.

DFG research unit FOR 1282 "Controlling the electronic structure of semiconductor nanoparticles by doping and hybrid formation"
Application and elongation: 2009-2015.
Title of the project: "Theoretical exploration of optical and electronic properties of metal cluster-carbon and silicon hybrids"
Total funding amount: 200 000 Euro.

DAAD PROCOPE French-German Exchange Programme
Application: 2010-2012
Title: Optical properties of metal cluster-protein hybrids
Total funding amount: 15 000 Euro

French-Croatian Projet de Laboratoire International Associé (LIA)
Application: 2010-2015
Title: Metal cluster sensors for biological aging
Total funding amount: 50 000 Euro

DAAD Croatian-German Exchange Programme
Application: 2013-2014
Title: Ruthenium catalysts for the purification of the feed gas for fuel cells; Ab initio and Monte Carlo simulations
Total funding amount: 8500 Euro