Quantum Chemistry and Molecular Modeling at BASF
Computational Chemistry at BASF spans length and time scales from atomistic to mesoscale systems and supports all areas of R&D. After an introduction about our setup and toolbox, typical applications will be presented covering molecular quantum chemistry, solid state quantum chemistry and mesoscopic simulations. It will be highlighted, how model building and selection of simulation tools are crucial for success.
Quantum Chemistry
Dr. Ansgar Schäfer studied Chemistry in Karlsruhe and did a PhD in the group of Reinhard Ahlrichs in 1994, contributing to the development of the Turbomole program package. He joined BASF in Ludwigshafen in 1996. As Competence Leader and Executive Expert, he is currently head of a group of about 20 people providing modeling and simulation support on the molecular level for all areas of BASF’s R&D.
