Hans-Joachim Werner

Born April 16, 1950 in Hamburg, Germany.

Professor of Theoretical Chemistry, University of Stuttgart, Germany.

Email:werner@theochem.uni-stuttgart.de
WWW: external link

Max-Planck award for international collaborations (1996); Gottfried Wilhelm Leibniz award (2000); Wilhelm Jost medal of the Academy of Sciences, Göttingen (2001); Correspondence member, Academy of Sciences, Göttingen (since 2002); Gay-Lussac-Humboldt award (2008); ERC Advanced Grant (2012); Erich Hückel award for Theoretical Chemistry (2018); Member, Editorial Board Zeitschrift für Physikalische Chemie (1995-2012); Editor, Molecular Physics (2008-2013); Member, Commission for IT Infrastructure of the Deutsche Forschungsgemeinschaft (1998–2003, Chairman 2001–2003); Member, Executive Board (Ständiger Ausschuss) of the Deutsche Bunsengesellschaft für Physikalische Chemie (1998-2003); Liaison Officer (Vertrauensdozent) of the Deutsche Forschungsgemeinschaft at the University of Stuttgart (2003-2012); Dean, Faculty of Chemistry, University of Stuttgart (2006-2012); Vice president for Organization and Research, University of Stuttgart (2012-2015). Retired Professor since 2018.

Author of:

More than 300 scientific articles in journals of Chemical Physics and Theoretical Chemistry

Important Contributions:

Second-order multiconfiguration self-consistent field methods, internally contracted multireference configuration interaction methods, multireference perturbation theory, linear scaling local electron correlation methods, explicitly correlated MP2 and Coupled-Cluster methods, analytical energy gradients, in particular for local correlation methods and multireference perturbation theory. Author of the MOLPRO quantum chemistry package (www.molpro.net). Numerous applications of quantum chemical methods in spectroscopy and molecular dynamics; electronically excited states, highly accurate coupled potential energy surfaces for chemical reactions, non-adiabatic couplings, quasi-diabatic representations, quantum dynamics of non-adiabatic processes in atom-molecule collisions, photodissociation, and elementary chemical reactions.