Dr. Asbjoern Burow

AMS is a leading company in the development of pharmaceutical organic crystal structure prediction running and developing the GRACE software, which is a sophisticated hybrid engine of molecular ab initio methods, tailor-made force fields, structure generator, and much more. GRACE was the winner of the latest (6th) CSP blind test of the CCDC.

This project was funded by a Liebig fellowship of the "Fonds vom Verband der Chemischen Industrie" (VCI). My research focussed on developments and applications of density functional theory (DFT) based physical methods for molecules and solids. From this project, a DFT software emerged, which allows for efficient structure optimizations of surfaces and molecular crystals and is official part of the renowned quantum chemistry package called Turbomole.

Key Topic: "Analytical first-order molecular properties within the Random Phase Approximation (RPA)". This postdoctoral research stay was hosted by Filipp Furche at the chemistry department of UCI. The developments of this project were published under DOI: 10.1021/ct4008553 and are official part of the TURBOMOLE quantum chemistry package.

Thesis: "Methods for the description of chemical structures with arbitrary dimensionality using density functional theory under periodic boundary conditions" The PhD student position was hosted by the quantum chemistry group of Joachim Sauer. The first 2 years were funded by the FCI of VCI.

Chemistry studies with a complete curriculum (organic, inorganic, analytical, physical, ...). Specialization for diploma thesis in theoretical chemistry: "Embedded cluster study of defects in calcium fluorite and ceria using periodic electrostatic embedding"