Modeling, simulation and optimization

Naturwissenschaftliche Fakultät


Modeling, simulation and optimization (MSO) have become indispensable methods in all branches of sciences and also in many fields of Social Science. In the Faculty of Science, all departments contribute to this research focus and mutually interact. Furthermore, there are strong links to other departments within FAU, in particular with the Faculty of Engineering, most prominently in the Cluster of Excellence ‘Engineering of Advanced Materials’. Moreover, there is strong interaction with the research group high performance computing within the computing center of FAU.

Development, analysis, and application of MSO techniques range from first-principles electronic structure methods in particular density-functional theory, molecular dynamics and Monte-Carlo simulations, through multiscale approaches to continuum methods and complex optimization techniques.

Applications cover diverse problem classes such as biophysical/biomedical and molecular life science, medicine, materials science, optics, processes in the climate system, properties of heterogeneous media and space technology.

Assigned publications

Gahbauer, S., Pluhackova, K., & Böckmann, R. (2018). Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol. PLoS Computational Biology, 14(3), e1006062.
Eisentraudt, M., & Leyendecker, S. (2018). Fuzzy uncertainty in forward dynamics simulation using variational integrators. In Proceedings of the GAMM Annual Meeting. München, DE.
Lautner, L., Pluhackova, K., Barth, N., Seydel, T., Lohstroh, W., Böckmann, R., & Unruh, T. (2017). Dynamic processes in biological membrane mimics revealed by quasielastic neutron scattering. Chemistry and physics of lipids.

Last updated on 2018-24-10 at 15:32