PhD Scholarships in Theoretical Catalysis and Accelerated Computational Discovery of Clean Energy Materials | DTU, Δανία

A number of PhD scholarships will be offered at the Department of Physics (DTU Physics) and Department of Energy Conversion and Storage (DTU Energy) in connection with the newly established Catalysis Theory Center and the section for Atomic Scale Modelling and Materials.

The PhD scholarships will focus on:

• Density Functional Theory (DFT) calculations combined with machine learning techniques for accelerated/autonomous discovery of clean energy materials, e.g. novel electrocatalysts for sustainable production of fuels and chemicals and next-generation battery materials.
• DFT-based mechanistic analysis and the development of coupled kinetic-transport models of electrochemical processes for the sustainable production of fuels and chemicals
• The development of a fundamental understanding of the theory of heterogeneous catalysis and electro-catalysis chemical processes at the gas-solid and liquid-solid interface.

The PhD projects will be carried out in close collaboration with leading international computational and experimental groups, as well as industry, and you will be employed either at DTU Physics or DTU Energy, depending on the specific project and your scientific profile.

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