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PhD student (f/m/d) in the field of theoretical catalysis
75% part-time

Category

Job description

The aim of this position is to use theoretical methods to investigate how oxide-supported PdPt particles behave under operando conditions, i.e. during the catalytic reaction. The project is part of the Collaborative Research Center (CRC) “TrackAct - Tracking the Active Site in Heterogeneous Catalysis for Emission Control” (https://www.trackact.kit.edu). Within the SFB, there are various collaborations with other working groups, as well as activities of the PhD students involved.

You take on the following tasks in particular:

  • Calculating the stability of catalysts using density functional theory and statistical thermodynamics
  • Modeling with machine learning
  • Evaluation of alloy properties with Monte Carlo simulations
  • Kinetic simulation with mean-field models
  • Publication of research results and participation in international conferences
  • Cooperation and exchange with other working groups and doctoral students of the CRC

Personal qualification

You have:

  • a completed scientific university degree (Master's degree) in chemistry or a related field of study
  • Knowledge of chemistry and quantum chemical methods
  • Computer skills in Linux and programming languages (e.g. Python)
  • Good communication skills
  • Team spirit and ability to engage in constructive scientific exchange with colleagues

 

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