Research Assistant (PostDoc) (m/f/d) - Department of Mathematics and Computer Science
Freie Universität Berlin
Fachbereich Mathematik und Informatik - SFB 1114: Skalenkaskaden in komplexen Systemen
Research Assistant (PostDoc) (m/f/d)
1/2- part-time job, limited to 30.06.2022, Entgeltgruppe 13 TV-L FU Reference code: SFB_1114_C01
CRC 1114 aims at methodological developments for the modelling and computational simulation of complex processes involving many (more than two) interacting scales, driven by real-life applications from the bio-, geo-, and material sciences. In its individual projects, mathematicians cooperate with colleagues from the natural sciences to advance both their modelling capabilities and their insight into concrete multiscale phenomena.
The candidate will work on the development of the adaptive resolution technology in molecular dynamics within the C01 project of CRC 1114.
The Adaptive Resolution method (AdResS) has been recently brought to a next level of accuracy and efficiency within the C01 project; 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, the next methodological question of the C01 project concerns the application of the method to complex molecular structures. In particular, if instead of a standard classical model of water, one has a model with basic quantum descriptions, e.g. path integral model. In such a case the integration procedure is more complex and one need to generalize the current AdResS algorithm to more complex situations. Furthermore in C01 the method has been extended to nonequilibrium situations and has been tested with only Lennard-Jones particles. Within the project outlined here, additional tests with liquid water at classical and path integral description can strengthen the conclusions about the robustness of the method reached so far in C01.
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 2.8.2021 to Frau Dr. Kristine Al Zoukra: firstname.lastname@example.org.
Freie Universität Berlin
Fachbereich Mathematik und Informatik
SFB 1114: Skalenkaskaden in komplexen Systemen
Frau Dr. Kristine Al Zoukra
14195 Berlin (Dahlem)
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