Main Developers of TURBOMOLE

Prof. Dr. Reinhart Ahlrichs

Prof. Dr. Reinhart Ahlrichs CV: Reinhart Ahlrichs studied Physics at the University of Goettingen (Diplom (M.Sc.) in 1965) and received his PhD in 1968 with W. A. Bingel. From 1968-69 he was assistant at Goettingen with Werner Kutzelnigg and from 1969-70 Postdoctoral Fellow with C. C. J. Roothaan at the University of Chicago. After a period as assistant from 1970-75 in Karlsruhe he has been Professor of Theoretical chemistry at the University of Karlsruhe since 1975. He was also a head of a research group at the Institute for Nanotechnology (INT) of Forschungszentrum Karlsruhe. His group has initiated the development of the TURBOMOLE program among other things.

Prof. Dr. Reinhart Ahlrichs passed away on October 12, 2016 at the age of 76.

Prof. Dr. Filipp Furche

Prof. Dr. Filipp Furche CV: Diplom, Chemistry, University of Karlsruhe, 1998; PhD, Theoretical Chemistry (R. Ahlrichs), University of Karlsruhe, 2002; Postdoctoral Fellow, Theoretical Chemistry (R. Ahlrichs), University of Karlsruhe, 2002; Postdoctoral Fellow (J. P. Perdew), Tulane University, New Orleans, 2003; Heinz Maier-Leibnitz Prize, 2004; Habilitation, Theoretical Chemistry, University of Karlsruhe, 2006; The Young Academy, member, since 2006; Young Scientist Group Leader, Center for Functional Nanostructures (CFN), University of Karlsruhe, 2006-2007; CEO, TURBOMOLE GmbH, 2007; Associate Professor of Chemistry, University of California, Irvine, since 2008.

Research Interests: Static and time-dependent density functional theory, molecular properties, new algorithms, excited states, photochemistry, nanoscience.

Prof. Dr. Christof Hättig

Prof. Dr. Christof Hättig CV: Christof Hättig studied chemistry (1987-1992) at the University in Bonn, Germany. He joint in 1992 the research group of B. Hess, with whom he received in 1992 his Diplom (M.Sc.) and in 1995 his Dr. rer. nat. (Ph.D). In 1996 he moved to Aarhus (Denmark) to join the quantum chemistry group of P. Jørgensen as postdoctoral fellow (1996) and assitant research professor (Marie Curie fellow, 1997-1999). In 1999 returned to Germany as research associate in the group of R. Ahlrichs at the Institute of Nanotechnology (Forschungszentrum Karlsruhe), where he became shortly after a young scientist group leader. He obtained his habilitation from the University of Kalrlsruhe (TH) in 2003 and received in 2004 the Hans G. A. Hellmann prize. Since 2006 he holds a position as professor at the Ruhr-University Bochum.

Research Interests: coupled-cluster response theory, electronically excited states, heterogeneous and homogeneous catalysis, correlated methods for large systems, intermolecular interactions, non-linear optical properties.

Prof. Dr. Marek Sierka

Prof. Dr. Marek Sierka CV: Marek Sierka studied chemistry and physics at the Jagellonian University, Kraków, Poland (1991-1994); Bergen University, Bergen, Norway (1994-1995); Humboldt University, Berlin, Germany (1995-1996). He received his Diplom (M. Sc.) in 1996 and his PhD in 2000 with Joachim Sauer at the Humboldt University of Berlin. For his PhD thesis he received the Humboldt (2001) and Joachim Tiburtius (2001) prizes. From 2001-2004 he was postdoctoral fellow with Reinhart Ahlrichs at the University of Karlsruhe. In 2004 he returned to the Humboldt University and in 2009 he obtained his habilitation. Since 2012 he is Professor of Computational Materials Science at the Friedrich Schiller University Jena.

Research interests: DFT methods for extended (periodic) systems, global and local optimization algorithms for clusters and surfaces, multi-scale modeling of complex materials.

PD Dr. Florian Weigend

Dr. Florian Weigend CV: Florian Weigend studied Physics in Karlsruhe, received his Diplom in 1995. He turned towards theoretical chemistry and got his PhD in 1999 with R. Ahlrichs (development of RI-MP2). Afterwards he joined the Institute for Nanotechnology of Forschungszentrum Karlsruhe. Current interests are development of basis sets and RI methods as well as application to clusters in physical and inorganic chemistry.