One Two
Sie sind hier: Startseite kirchner Prof. Dr. Barbara Kirchner

Prof. Dr. Barbara Kirchner

The homepage of the Kirchner group has moved:



Kirchner_2022.JPG     Prof. Dr. Barbara Kirchner
Mulliken Center for Theoretical Chemistry
Clausius 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)


 Professional Activities and Services performed

Since 2022
Senior Editor of Journal of Physical Chemistry A/B/C
2020-2022 Head of the Department of Chemistry
Since 2020 Editor of the Journal of Chemical Physics

Since 2019

DFG committee “Gerätekommission” — elected for a four-year term
2015-2019 DFG committee for “IT-Infrastruktur”
2017 - 2019 Editorial Advisory Board of The Journal of Chemical Physics
Since 2016 Editorial Board of Topics in Current Chemistry
2008 - 2012 Equal opportunity commissioner of Chemistry faculity the University
of Leipzig


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)