Research Fellow in Theoretical Quantum Chemistry

The Chemistry Department at University College London is the oldest in England and is ranked 3rd in the UK for its world-leading research in REF2021. Located in Bloomsbury, London, it offers a vibrant environment for studying at one of the UK\’s top universities. The department supports excellence in research and teaching, offering undergraduate BSc and MSci programmes in Chemistry, with approximately 750 undergraduates and additional students in related programmes. It also offers postgraduate taught Masters courses with about 80 students annually and has a PGR student community of around 200. With over 60 academic staff, the department specializes in areas such as organic synthesis, chemical biology, computational chemistry, nanotechnology, inorganic and materials chemistry, physical chemistry, and chemical physics. The annual research income is around £15 million, funded by various agencies and partners.

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About the role

This position involves joining an innovative research team focused on developing novel electronic structure theories at UCL. The project aims to create accurate, low-scaling computational methods for predicting open-shell ground and excited states in molecules. It builds on recent advances in low-spin open-shell mean-field theory, exploring electron correlation through many-body interactions and density functional approximations. The role combines theoretical work with algorithm development and application to the properties and spectra of open-shell molecules. Responsibilities include designing and maintaining research software and contributing to future funding proposals.

The appointment is for 24 months, starting as soon as possible, based in the Molecular Quantum Theory Group led by Dr. Hugh Burton at the Bloomsbury Campus.

More about the group can be found at Molecular Quantum Theory @ UCL .

About you

The successful candidate will conduct research on:

• Prediction of excited-state energy surfaces and spectra using open-shell mean-field theory
• Quasiparticle theory of open-shell diradicals and polyradicals
• Integration of open-shell mean-field theory with density functional approximations

Key requirements include a PhD (or near completion) in Theoretical Chemistry, Physics, or a related field. The candidate should be able to work collaboratively and possess effective written and verbal communication skills in English.

Customer advert reference: B04-06403

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