Türkiye
Molecular dynamics and quantum mechanics/molecular mechanics simulations of redox modularity of biologically relevant Iron-sulfur proteins. Force field parameterization for Iron-sulfur proteins.
Quantum mechanical calculations to contribute to the development of sustainable chemistry and chemical processes with small molecule activation. Modeling homogeneous catalysis powered by renewable energy sources. Photochemical and electrochemical properties of conjugated polymers utilized in the field of organic electronics. Machine learning techniques to build design principles for more reactive and selective molecular catalysts involved in asymmetric catalysis.