Reliable and accurate quantum-chemical calculations of the properties and dynamics of few electron quantum systems in external fields. Development of a uniform, distributed and extendable data and knowledge infrastructure in theoretical chemistry.
The results of the research have been published in about 250 papers in refereed schientific journals and have been presented in various lectures.
1961 Diploma in Chemistry (Diplom Chemiker, 31.10.1961, Supervisor: R. Suhrmann), Technische Hochschule Hannover (at present: Leibniz Universität Hannover).
1963 Doctorate in Chemistry (Dr. phil. nat., 19.12.1963, Supervisor: H. Preuß), J.W. von Goethe Universität, Frankfurt.
1964/5 Senior Research Fellow, University of Keele, England.
1965-2001 Scientific Staff, Max-Planck-Institut für Astrophysik, Garching.
1968/9 Visiting Senior Scientist, IBM Research Laboratories, San Jose, California, USA.
1969 Co-founder of the Strasbourg Seminars on Computational Problems in Quantum Chemistry.
1973 Privatdozent (28.11.1973) in Chemistry, Technische Universität München.
1974-1996 Scientific Director of 5 NATO Advanced Study Institutes on Methods in Computational Molecular Physics and Molecular Astrophysics (1974, 1982, 1984, 1991, and 1996).
1976/7 Harvard Research Fellow, Harvard College Observatory, Cambridge, Massachusetts, USA.
1978-1984 Member and Chairman (1982-1984) of the Computational Physics Group of the European Physical Society.
1985 apl. Professor in Chemistry (07.12.1984), Technische Universität München.
1985-2000 Co-editor of Computer Physics Communications.
1987 Japan Society for the Promotion of Science Fellow, Hokkaido University, Sapporo, Japan.
1989-1995 Co-editor of the International Journal of Quantum Chemistry.
1990-1995 Co-editor of Physics Reports.
1993/4 Canada-Germany Research Awardee.
1993/4 Visiting Professor, Department of Numerical Mathematics, Faculty of Mathematics, University of Waterloo, Waterloo, ON, Canada.
1995/6 Visiting Professor, Department of Chemistry, Queen's University, Kingston, Ontario, Canada.
1998-2003 Humboldt Awardee and Visiting Professor, Department of Chemistry, Graduate School of Science, The University of Tokyo, Japan (1998, 2001 and 2003).
2000 Alexander von Humboldt Foundation Honorary Research Fellow of the Foundation for Polish Science. Gold Medal of the Faculty of Natural Sciences, Comenius University, Bratislava. Japanese-German Research Awardee of the Japan Society for the Promotion of Science under the auspices of the Memorandum of Understanding with the Alexander von Humboldt Stiftung.
2001 Scientist emeritus, Max-Planck-Institut für Astrophysik, Garching.
2001-2005 German Delegate and Chairman of the Management Committee of the EU COST Action 282: Knowledge Exploration in Science and Technology - KnowlEST.
2002-2004 Technical and Scientific Coordinator des EU 5th Framework Programme IST Project Open Computing GRID for Molecular Science and Engineering - OpenMolGRID.
2002-2006 German Delegate of the EU COST Technical Committee for Telecommunication, Information Science and Technology.
2004 Council of Scientific & Industrial Research (India) - Humboldt Reciprocity Research Award 2004. Coordinaçâo de Aperfeiçoamento de Pessoal de Nivel Superior (Brazil) - Humboldt Reciprocity Research Award 2004.
2005-2006 Humboldt Awardee, Universidade de Sao Paulo, Sao Paulo, SP, Brazil; Universidade Federal do Pará, Belém, PA, Brazil; Universidade Federal da Bahia, Salvador da Bahia, BA, Brazil.
2007 Senior Research Fellow, College of Science and Technology, Nihon University, Funabashi, Chiba, Japan.
2009 Visiting Professor, Department of Applied Mathematics, Faculty of Mathematics, University of Waterloo, Waterloo, ON, Canada.
2015 Senior Research Fellow, College of Science and Technology, Nihon University, Funabashi, Chiba, Japan.
2016 Senior Research Fellow, College of Science and Technology, Nihon University, Funabashi, Chiba, Japan.