The ‘Computational Chemistry and Biochemistry Group’ (CCBG) focus on first principles modeling of catalytic processes, namely, biological reactions in proteins, heterogeneous reactions on surfaces; multiscale-modeling of nanomaterials for environmental purposes as well as design and enhancement of drug delivery systems. The CCBG is working on a diverse array of research topics in close collaboration with a large international network. Multiple bilateral research projects with Ghent University (BE), University of Lorraine (FR) as well as an industry-academia collaboration with Syngenta, Basel (CH) are currently underway. A multitude of chemical and biochemical research areas are explored using computational methods ranging from quantum mechanics, DFT, molecular dynamics to drug discovery. CCBG is fully equipped with first-rate computational resources, a multitude of licensed/open-source software and access to supercomputer centers.
The CCBG is located at the Department of Chemistry, Bogazici University, Turkey.