Applications are invited for a Research Assistant in the Materials Theory Group, Department of Materials Science and Metallurgy. The ERC-funded position is with Prof. Stefano Racioppi (PI) on his "Quantum Theory of the Periodic Tables Under Extreme Conditions (QUANTEX) project. We are looking for motivated and enthusiastic applicants interested in theoretical chemistry, condensed matter physics and computational materials science.
The successful candidate will join Prof. Racioppi's group to investigate how extreme pressure changes the electronic structure, chemical bonding, and properties of elements and compounds, challenging familiar chemical rules. QUANTEX aims to understand these changes and develop a theoretical framework to describe chemical periodicities under compression and guide the prediction of new materials. The appointee will also join a thriving community of computational materials scientists within the Materials Theory Group and the wider Lennard-Jones Centre at Cambridge.
The role will combine first-principles calculations, largely based on density functional theory (DFT) with: crystal structure prediction and machine-learning methods; chemical bonding analysis, including the quantum theory of atoms in molecules (QTAIM); energy decomposition analysis (EDA), and analysis of electronegativities. Potential research directions include pressure-induced changes in electronic structure (e.g. core-valence boundaries),chemical periodicity (e.g. electronegativities and oxidation states), the formation of electride and superconducting states, and machine-learning accelerated materials discovery.
Applicants should have (or expect to be awarded) a good UK Master's degree (or overseas equivalent) in a relevant science subject (Materials Science, Chemistry, Physics) and meet the University's academic and English-language entry requirements for their doctoral programme. A strong interest in theoretical and solid-state chemistry is essential. Previous experience in programming, machine learning, electronic-structure calculations, or atomistic modelling whilst advantageous, is not essential. Applicants should have good analytical and communication skills, intellectual curiosity, and ability to work both independently and collaboratively. They will receive training in computational methods for solid-state chemistry and physics, have access to high-performance computing facilities, and benefit from interactions with local and international theoretical and experimental collaborators.
Applicants can be of any nationality and should be enrolled in a doctoral programme at Cambridge during the project.
Informal enquiries should be directed to Prof. Stefano Racioppi, sr2200@cam.ac.uk.
Interviews will be held online: 1 March 2027.
Expected start date: 1 October 2027.
Fixed-term: The funds for this post are available for 42 months in the first instance.
The University actively supports equality, diversity and inclusion and encourages applications from all sections of society.
The University has a responsibility to ensure that all employees are eligible to live and work in the UK.
Research Assistant in Materials Theory in Cambridge employer: University of Cambridge
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