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JG

M.Sc. Julian Gerhäuser

group: 

Application of Process Simulation & Molecular Modeling

 


room: 404
phone: +49 721 608 43608
fax: +49 721 608 45967
julian gerhaeuserDar6∂kit edu

Postanschrift: Kaiserstr. 12
Liefer- und Besucheranschrift: Gotthard-Franz-Straße 3
Geb. 50.31, 4. OG
D-76131 Karlsruhe


My person:

After graduating from high school, I initially decided to train as a biotechnological assistant in Heidelberg before studying biotechnology at the Mannheim University of Applied Sciences. Since May 2019, I have been working as a research assistant at the Institute of Food Process Engineering, where I am involved in simulations and molecular modeling.


Research focus:

In principle, molecular dynamics simulations (MD) are to be used for applications in the field of food process engineering and established at the institute. One of these research areas deals with the interaction of antifreeze proteins (AFP) with the ice-water interface. It is already known that AFPs can bind to ice crystals and thus inhibit further growth and recrystallization. However, the exact binding and interaction mechanism is not yet confirmed. The molecular dynamics simulation should provide further insights here. Another field of work is the investigation of molecules at the phase boundary between oil and water.

In addition to my doctoral thesis, I supervise the SmartMentoring program of the Faculty of Chemical Engineering and Process Engineering.


Methods:

The molecular dynamics simulation is based on the numerical solution of the laws of classical mechanics. By integrating the Newtonian equation of motion, the trajectories of the simulated molecules and atoms can be calculated using the given initial conditions. For this purpose, the GROMACS software package is used in conjunction with the VMD visualization tool. The results of the simulation will be supported by suitable experiments.