PhD and Postdoctoral Positions in Computational Chemistry, Machine Learning, and Catalysis at University of Oxford University of Oxford in United Kingdom

The University of Oxford announces upcoming opportunities for a PhD position and two postdoctoral research positions as part of the ERC CoG-funded project ML4MetaLigM, led by Associate Professor Fernanda Duarte. The project aims to develop advanced computational methods to model chemical reactivity in the condensed phase, integrating physics-based models with artificial intelligence for applications in catalysis and molecular design. This interdisciplinary research will appeal to candidates interested in computational chemistry, machine learning, AI-driven molecular design, and software development for scientific applications.

The research group is based in the Department of Chemistry at the University of Oxford, with collaborations across Oxford Chemistry and Hertford College. The project offers a stimulating environment for those passionate about chemical reactivity across scales, the development of machine learning interatomic potentials (MLIPs), and the intersection of physics, chemistry, and computer science.

Applicants should have a strong background in computational chemistry, machine learning, physics-based modeling, or related fields. Experience with software development and a keen interest in catalysis and molecular design are highly desirable. The positions are fully funded by the ERC CoG grant, with further details on stipends, salaries, and application procedures to be announced soon. The anticipated start date for the PhD position is October 2026.

Interested candidates are encouraged to follow the provided links to learn more about the research group and stay updated on the official application call. This is an excellent opportunity to join a leading research team at the University of Oxford and contribute to cutting-edge developments in computational chemistry and AI-driven molecular science.