Fachbereich Mathematik und Informatik - Institut für Mathematik
Research Assistant (PostDoc) (m/f/d)
1/2-part-time job, limited to 31.07.2022, Entgeltgruppe 13 TV-L FU Reference code: DFG-DE1140/7-3
The candidate will work in the working group of PD Dr. Luigi Delle Site on the application of the adaptive resolution technology to the calculation of the free energy of aggregation of hydrophobic molecules within the project DE 1140/7-3.
The Adaptive Resolution method (AdResS) has been recently brought to a next level of accuracy and efficiency; in fact the method can automatically design a reservoir of particle and energy described as a mean-field approach. In this way, one needs to do the calculations only on a small part of the system at high molecular resolution, and thus the numerical efficiency is very high. Initial tests give very good results for a liquid of water described with standard classical force-fields. Additional tests with liquid water at classical and path integral description can strengthen the conclusions about the robustness of the method reached so far. Once methodological aspects are completed, the method shall be applied the calculations of the free energy of aggregation of two hydrophobic molecules in water. This study would allow for the first time to detect the quantum signature of the hydrogen bonding spatial delocalization in the aggregation of two hydrophobic molecules finalization of the project DE 1140/7-3.
Master's degree and PhD in Mathematics or in a field of the Natural Sciences or Engineering.
Experience and knowledge with molecular dynamics programs and programming of same is required. A very good background in statistical mechanics and thermodynamics is also required. Very strong background in computational physics, computational chemistry or applied mathematics.
Applications should be sent by email, together with significant documents, indicating the reference code, in PDF format (preferably as one document) by July 29th, 2021 to Frau Dr. Kristine Al Zoukra: email@example.com.
Freie Universität Berlin
Fachbereich Mathematik und Informatik
Institut für Mathematik
Frau Dr. Kristine Al Zoukra
14195 Berlin (Dahlem)
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