| 2015 |
Managing Director, Max-Planck-Institut für Kohlenforschung |
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| 2013 - 2019 |
Member of the Scientific Advisory Board, Institute of Chemical Research of Catalonia, Tarragona, Spain |
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| 2012 - 2015 |
Member of the Board of Governors, German Chemical Society |
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| 2012 - 2014 |
Editorial Advisory Board, Accounts of Chemical Research |
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| 2012 - 2013 |
Editorial Advisory Board, ACS Catalysis |
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| 2011 - 2017 |
President, World Association of Theoretical and Computational Chemists |
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| 2011 - 2014 |
Member of the International Advisory Board, Institute of Organic Chemistry and Biochemistry, Prague, Czech Republic |
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| 2010 |
Chairman, Gordon Conference on Computational Chemistry |
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| since 2009 |
Member of the International Advisory Board, State Key Laboratory of Physical Chemistry (PCOSS), Xiamen, China |
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| since 2008 |
Associate Editor, WIRES: Computational Molecular Sciences |
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| 2006 - 2013 |
Member of the Kuratorium, Angewandte Chemie |
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| 2006 - 2012 |
Chairman, BAR Committee of the Max Planck Society |
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| 2006 - 2008 |
Managing Director, Max-Planck-Institut für Kohlenforschung |
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| 2004 - 2017 |
Member of the Scientific Advisory Board, Lise-Meitner Minerva Center for Quantum Chemistry, Jerusalem/Haifa, Israel |
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| 2004 - 2007 |
Member, Ständiger Ausschuss der Bunsengesellschaft |
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| 2002 - 2008 |
Section Editor, Encyclopedia of Computational Chemistry |
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| 2001 - 2005 |
Chairman, Arbeitsgemeinschaft Theoretische Chemie |
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| 2000 - 2008 |
Member of the Review Board, Deutsche Forschungsgemeinschaft |
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| 2000 - 2006 |
Member of the Steering Committee, Bavarian Supercomputer Center |
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| since 1998 |
Advisory Editor, Journal of Computational Chemistry |
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| 1997 - 2014 |
Advisory Editor, Theoretical Chemistry Accounts |
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| 1990 - 1992 |
Sprecher, DFG-Forschergruppe: Reaktive Moleküle |
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| 1986 - 1992 |
Member of the Board, Institut für Angewandte Informatik, Wuppertal |
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