德国柏林自由大学博士后职位招聘–计算或理论化学、计算物理学或相关领域

Fachbereich Biologie, Chemie, Pharmazie – Institut für Chemie und Biochemie SFB 1114, Projekt B05, AG Keller

Research assistant (postdoc) (m/f/d)

full-time job
limited to 30.06.2026
Entgeltgruppe 13 TV-L FU
reference code: SFB 1114/3 B05_K

This position is part of the Collaborative Research Center 1114 “Scaling Cascades in Complex Systems”. Prof. Dr. Bettina Keller is project leader of project B05.

With mathematics as the leading discipline of an otherwise interdisciplinary program, CRC 1114 “Scaling Cascades in Complex Systems” aims at methodological developments for the study of complex processes that contain whole cascades of scales. Such processes are characterized by more than two characteristic scales, a larger difference between the smallest and largest scale, and physical interactions across the scale hierarchy. In doing so, the research groups are oriented towards challenging applications, manly from the life and earth sciences, and pursue the dual goal of contributing substantially both to the application question and to the provision of generalizable mathematical modeling methods.

Project:

The project B05 of CRC 1114 deals with the development of multi-scale models for complex molecular processes. Particularly difficult in this context are the slower molecular (rare events). In order to model these processes accurately and efficiently, we develop dynamic reweighting methods and discretization methods for the Fokker-Planck equation. We are looking for a postdoctoral researcher to further develop and apply these two complementary approaches. Possible topics of focus for the advertised position are:

• Application of the methods to ab-initio potentials or neural network potentials.
• Optimization of molecular potentials using path reweighting methods
• Finding the optimal bias for path reweighting methods
• Mathematical analysis and comparison of the two methods, especially for underdamped Langevin dynamics
• Combination of the methods with ML approaches to determine optimal reaction coordinates or collective variables

Requirements:

Ph.D. (completed) in computational or theoretical chemistry, computational physics, or a related field

(Professional) Experience:

• Experience in modeling and simulation of molecular systemsExperience in modeling and simulation of molecular systems
• Knowledge of a programming language

Desirables:

• Major or minor in chemistry
• Experience with enhanced sampling and reweighting methods
• Experience with mathematical description of stochastic processes and their application in molecular sciences
• Experience in nonequilibrium statistical mechanics, rate theories

All applications (including a short cover letter outlining your background, a detailed CV including possibly some references, and all relevant certificates) quoting the reference code should be directed preferably electronically in one PDF-file no later than July 31th, 2023 to: Frau Prof. Dr. Bettina Keller: bettina.keller@fu-berlin.de or postal to

Freie Universität Berlin
Fachbereich Biologie, Chemie, Pharmazie
Institut für Chemie und Biochemie
SFB 1114, Projekt B05, AG Keller
Frau Prof. Dr. Bettina Keller
Arnimallee 22
14195 Berlin (Dahlem)

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Please note:
Freie Universität Berlin is an equal opportunity employer.