2 postdoc (half-time) positions, or one full-time position, from September 2021 to June/July 2022 are available at the Mathematics department of the FU Berlin in the group of L.Delle Site.

Candidates interested in a full-time postdoc position can apply for both half-time positions and indicate their availability to take one full-time position.

Project:

Adaptive Resolution Path Integral simulation of hydrophobic molecules in water.

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.

Requirements:
Master´s degree and PhD in Physics/Chemistry/Mathematics

Desirable:
Experience and knowledge with molecular dynamics programs and programming of same is required. A very good background in quantum statistical mechanics and thermodynamics is also required. Very strong background in computational physics, computational chemistry or applied mathematics.

For more details see:

https://www.fu-berlin.de/universitaet/beruf-karriere/jobs/english/MI-DFG-DE1140-7-3.html

https://www.fu-berlin.de/universitaet/beruf-karriere/jobs/english/MI-SFB_1114_C01-E.html