Molecular Modeling of Structure Formation in Soft Matter (Q03)

• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2016 to 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 259079535

The aim of the project is the simulation of soft matter for relevant questions of the SFB with the simultaneous improvement of the applied modelling techniques. We combine expertise from quantum chemistry, molecular modelling and scale-bridging methods to calculate the project-relevant properties of soft matter, to simulate its structuring in solution and surfaces and to improve the sequence-driven design of the polymer in close cooperation with experimental partners. Furthermore, we implement spin-orbit coupling matrix elements between excited states and nuclear coupling constants in quantum chemistry methods to predict spectroscopic properties of soft matter.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1176: Molekulare Strukturierung weicher Materie
• Applicant Institution: Karlsruher Institut für Technologie
• Project Head: Professor Dr. Wolfgang Wenzel