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PhD Candidate in Neural Network-based Modeling for Molecule and Material Design

Universiteit van Amsterdam

Amsterdam, North Holland, Netherlands Full-time June 05, 2026
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Opportunity Description

What are you going to do

?

This project focuses on developing and applying a state-of-the-art computational framework for studying electro-catalytic reactions and designing improved catalyst materials.

You will:

  • develop a protocol for setting up, training, and applying neural network potential based molecular dynamics simulations for catalyst screening;
  • develop and apply machine learning techniques, e.g. based on “Collective Variable Free Sampling of Molecular Transition Paths”, to obtain reaction free landscapes;
  • improve the integrated models for investigation of electron and proton transfer reactions at catalyst materials;
  • propose new catalyst materials, working conditions, and experiments to our collaborators.

    • Tasks and responsibilities: 

  • complete a PhD thesis within the official appointment duration of four years;
  • conduct independent research in the Computation...
    • Full-time Computer Occupations

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    Opportunity Details

    Location Amsterdam, North Holland
    Country Netherlands
    Type Full-time
    Category Computer Occupations
    Posted June 05, 2026
    Deadline July 15, 2026

    About Universiteit van Amsterdam

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    Universiteit van Amsterdam

    Amsterdam, Netherlands

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