Prof. Dr. Barbara Kirchner
© BK
Prof. Dr. Barbara Kirchner
Mulliken Center for Theoretical Chemistry
Clausius Institut für Physikalische und Theoretische Chemie
Universität Bonn
Beringstraße 4+6
D - 53115 BonnTel.: 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
Publications:
Online-Talks:
- "Getting the best out of calculations of solvents" - Talk on the PAThlestra seminar, CICECO Aveiro Institute of Materials University of Aveiro, Portugal, September 2020
- "Getting the Best out of Ionic and Molecular Liquid Simulations" - Talk on the ATOMS seminar, Universidade Federal Do Rio De Janeiro, Brasil, October 2020
Software
- CONAN - A Novel Tool to Create and Analyze Liquids in Confined Space
- FOMD – Floating Orbital Molecular Dynamics
- Peacemaker – The Quantum Cluster Equilibrium Approach to Liquid Phase Properties
- TRAVIS – Trajectory Analyzer and Visualizer
Interviews and Media Coverage
- "Auf, nach Bonn" (Podcast from the University Bonn, YouTube channel uni-bonn.tv)
- Testimonial from "Nachrichten aus der Chemie", Vol. 61, Dez. 2013
- "Jetzt mal Klartext, Frau Kirchner und Herr Gansäuer, ... ... wie gut ist die Vernetzung von Wissenschaft und Wirtschaft?" (Interview in ChemCologne Compact 2022)
Fellowships and Awards
- 2019 Invited Professor - University of Strasbourg - Winter Semester 2019
- 2019 Ruth Lynden-Bell Award
- 2017 The Inman Lecture
- 2004 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)
- 03/2002-10/2003Postdoc 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)