Fernanda Duarte

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.

The University of Oxford, through the group led by Associate Professor Fernanda Duarte, is recruiting for a Postdoctoral Research Associate position in the field of computational chemistry. The group focuses on reaction modelling, machine learning interatomic potentials (MLIPs), and scientific software development, offering a dynamic research environment at the intersection of chemistry and computer science. This opportunity is ideal for candidates with expertise in computational chemistry, machine learning, and software engineering, who are interested in advancing research in chemical modelling and the development of scientific tools. The position is based in the Department of Chemistry at the University of Oxford, a world-leading institution renowned for its research excellence. The successful candidate will join a collaborative team working on cutting-edge projects in computational chemistry and machine learning, contributing to the development of new methodologies and software for chemical research. The group values interdisciplinary skills and encourages applications from candidates with strong programming backgrounds and experience in relevant research areas. Applicants should hold a PhD in chemistry, computational chemistry, computer science, or a related discipline. Experience in reaction modelling, MLIPs, or scientific software development is highly desirable. The ability to work effectively in a team and contribute to collaborative research projects is essential. The position offers a competitive salary and the opportunity to work in a stimulating academic environment with access to state-of-the-art resources. The application deadline is 18 March 2026. Interested candidates should review the detailed job description and apply via the Oxford Chemistry job portal. For more information about the research group and ongoing projects, visit the provided links.