Modern Computational Chemistry

Martin Korth is a Junior Professor for Computational Materials Science at Ulm University. He studied Chemistry at the University of Muenster and did his PhD under the supervision of Stefan Grimme. After postdoc stays with Pavel Hobza at the Czech Academy of Sciences in computational biochemistry, with Mike Towler at the University of Cambridge in theoretical physics and with Walter Thiel at the MPI Muelheim, he moved to his current position at Ulm University. His research focuses on molecular materials for electrochemical energy storage and quantum mechanical (QM) approaches to virtual drug design. Korth contributed amongst others to the development of enhanced semi-empirical QM methods for biomolecular interactions. His expertise has been acknowledged with several research scholarships and grants. He maintains collaborations with theoretically and experimentally working researchers in Ulm, Muenster, Bonn, Kopenhagen and Berkeley.



Tobias Schwabe became Junior Professor for Theoretical Chemistry at the University of Hamburg at the age of 31. He studied Chemistry at the University of Muenster and did his PhD under the supervision of Stefan Grimme. The work was focused on the development and application of double hybrid density functional methods. The impact of this work was honoured with a Feodor-Lynen fellowship from the Alexander von Humboldt Foundation which enabled a postdoctoral stay at the Aarhus University with Ove Christiansen. There, Schwabe switched topics and contributed to the improvement of a multi-scalar polarizable embedding QM/MM approach for coupled cluster. In his work, he is now routinely applying computational chemistry methods ranging from classical MD simulations to local coupled cluster methods.



Lars Goerigk is an independent group leader at the School of Chemistry at The University of Melbourne. He did his PhD with Prof. Stefan Grimme in Muenster in 2011, and then moved to Australia on a postdoctoral scholarship funded by the Germany Academy of Sciences "Leopoldina" to work in the group of Prof. Jeffrey R. Reimers at The University of Sydney. In April 2014, he relocated to The University of Melbourne. His position is funded with a Discovery Early Career Research Award (DECRA) from the Australian Research Council, Australia?s most-prestigious research-funding scheme for early-career researchers. Dr. Goerigk maintains collaborations at the local, national and international level with various experimental and theoretical research groups. His area of expertise is density functional theory (DFT) development, DFT applications to electronic ground- and excited-state related problems, the description of noncovalent interactions, and the computational treatment of biomolecular structures. His expertise has been acknowledged with several research scholarships, grants and prizes. Despite being an early-career researcher, his contributions have made a decisive impact with an average number of nearly 100 citations per published research article.