2 post-doc positions at FU Berlin
The projects involve development and application of the Adaptive Resolution method (AdResS). 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.
Candidates interested in a full-time postdoc position can apply for both half-time positions.
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