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Matthias Rarey has worked in a variety of roles in the scientific field since 1993. Matthias began their career as a Research Scientist at GMD - German National Research Center for Information Technology in 1993. In 1997, they became a Postdoctoral Researcher at SmithKline Beecham Corporation. In 1998, they moved to GMD-SCAI (Institute for Algorithms and Scientific Computing at GMD, later Fraunhofer) where they were a Group Leader for Computer-Aided Drug Design. In 2000, they were a Visiting Scientist at Roche Bioscience. In 2001, they co-founded and became a stakeholder at BioSolveIT. In 2014, they became an Associate Editor for the Journal of Chemical Information and Modeling at the American Chemical Society. Most recently, they have been a Professor at Universität Hamburg since 2002.

Matthias Rarey began their education in 1988 at Paderborn University, where they earned a Diplom in Informatik in 1992. Matthias then continued their studies at The University of Bonn, where they earned a Promotion in Informatik in 1996. Matthias is currently pursuing a Habilitation in Informatik at The University of Bonn.