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Position: MSCA PhD fellow in Developing Efficient Methods for an Accurate Energy Ranking of Molecular Crystals
Institution: University of Luxembourg
Location: Luxembourg City, Luxembourg
Duties: The PhD candidate will test machine learned force field methodologies trained on DFT+MBD and improve and integrate these methods into crystal structure prediction workflows, with an eye on properly balancing the complex interplay between different intra- and intermolecular interactions
Requirements: Good mathematical and programming skills, a good understanding of basic quantum mechanics, thermodynamics, and physical and chemical intuition
   
Text: MSCA PhD fellow in Developing Efficient Methods for an Accurate Energy Ranking of Molecular Crystals The PhD candidate will test machine learned force field methodologies trained on DFT+MBD and improve and integrate these methods into crystal structure prediction workflows, with an eye on properly balancing the complex interplay between different intra- and intermolecular interactions Good mathematical and programming skills, a good understanding of basic quantum mechanics, thermodynamics, and physical and chemical intuition
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