Research Scientist

vor 3 Wochen


Berlin, Berlin, Deutschland Freie Universität Berlin Vollzeit
Research Focus

The Keller research group at Freie Universität Berlin is dedicated to advancing our understanding of molecular dynamics through the development and application of novel computational methods.

Research Questions
  • How do environmental factors influence the mechanism and speed of chemical reactions?
  • Can machine-learned force fields be used to simulate complex chemical reactions in solvents or on surfaces?
  • What are the timescales of chemical reactions, and how can we overcome current simulation limitations?
Project Overview

In the project 'Molecules move', we aim to combine path reweighting techniques with machine-learned force fields to develop a simulation method for chemical reactions. This interdisciplinary approach will leverage our expertise in rare events simulation and dynamic reweighting methods to address the research question.

Key Research Topics
  • Modeling the influence of the environment on chemical reactions
  • Developing machine-learned force fields for complex chemical reactions
  • Overcoming current simulation limitations through novel computational methods


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