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Prof. Dr. Barbara Kirchner

BK_3.jpg     Prof. Dr. Barbara Kirchner
Mulliken Center for Theoretical Chemistry
Institut für Physikalische und Theoretische Chemie
Universität Bonn
Beringstraße 4+6
D - 53115 Bonn

Tel.: 0228/73-60442
Fax: 0228/73-9064

General Research Interests and Areas:

  • Quantum cluster equilibrium model
  • Ab initio and traditional molecular dynamics simulations
  • Solvents and solvent effects
  • Development of tool for analyzing and visualizing trajectories



  • FOMD – Floating Orbital Molecular Dynamics
  • Peacemaker – The Quantum Cluster Equilibrium Approach to Liquid Phase Properties
  • TRAVIS – Trajectory Analyzer and Visualizer


Interviews and Media Coverage

 Fellowships and Awards

Invited Professor - University of Strasbourg - Winter Semester 2019
2019 Ruth Lynden-Bell Award
2017 The Inman Lecture


Invitation to the European Union's \Chairmen of the European Research Councils' Chemistry Committees" (CERC3) Workshop on Neoteric solvents as Reaction Media: St. Malo (France)
2003 Fall meeting of the Swiss Chemical Society: Talk awarded as best oral presentation in Computational Chemistry
2002 - 2003 Member of the mentoring program Deutschschweiz for the academic
promotion of talented women
1998 - 1999 Scholar of Novartis Foundation, Swiss National Science Foundation,
Max-Planck-Society, Deutsche Forschungsgemeinschaft
1999 - Member of several societies: Arbeitsgemeinschaft Theoretische Chemie
(AGTC), Bunsengesellschaft and Deutsche physikalische Gesellschaft
(DPG), Gesellschaft Deutscher Chemiker (GDCH), American
chemical society (ACS)


Curriculum Vitae

01/01/2013 Professor position in Bonn
01/05/2007 Professor position in Leipzig
01/2006 Habilitationskolloquium, venia legendi
01/2006 Habilitation thesis
07/2004 Mentee of Prof. Dr. S. D. Peyerimhoff at the Institute for Physical and Theoretical Chemistry, University of Bonn (Germany)
11/2003-07/2004 Postdoc (Habilitandin) of Prof. Dr. B. A. Hess at the Institute for Physical and Theoretical Chemistry, University of Bonn (Germany)
03/2002-10/2003 Postdoc of Prof. Dr. J. Hutter at the Institute of Physical Chemistry, University of Zürich (Switzerland)
06/2001-02/2002 Postdoc of Prof. Dr. J. Hutter at the Institute of Organic Chemistry, University of Zürich (Switzerland)
04/2000-04/2001 Postdoc of Prof. Dr. D. Marx at the Institute of Theoretical Chemistry, University Bochum (Germany)
06/1999-04/2000 Postdoc of Priv. Doz. D. Marx and Prof. M. Parrinello at the Max-Planck Institute of Festkörperforschung (Stuttgart/Germany)
04/1998-05/1998 Visiting scientist at the University of Queensland in Brisbane (Australia) under supervision of Dr. Debra (Searles) Bernardt
12/1995-06/1999 PhD student at the Institute of Physical Chemistry, University of Basel (Switzerland) on MD-simulations under supervision of Prof. Dr. H. Huber
02-10/1995 Diploma thesis at the Institute of physics/TU Chemnitz (Germany) on density matrix theory under supervision of Prof. Dr. M. Schreiber
10/1992-1994 Studies of chemistry at the Johannes-Gutenberg University of Mainz (Germany)
10/1990-1992 Studies of chemistry at the Albert-Ludwigs University of Freiburg (Germany)