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

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Universiteit van Amsterdam
📍 Amsterdam, Netherlands
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Location Amsterdam
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Posted June 04, 2026
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Commute Local Area
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Job 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...

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    📍 Location Details

    🌆
    City
    Amsterdam
    🗺️
    Country
    Netherlands
    🚗
    Commute
    Local Area

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