Bao Nguyen

The University of Leeds is offering a postdoctoral research fellowship in AI and computational chemistry, focusing on the development of interpretable AI models for green chemistry applications. The position is based in the group of Professor Bao Nguyen, a leading researcher in physical organic chemistry. The project aims to address sustainability challenges in high value chemical manufacture by developing machine learning models that predict reactivity and selectivity in green solvents, using curated literature data and DFT/cheminformatics-derived descriptors. Key research areas include cheminformatics, AI/machine learning, computational chemistry, and organic synthesis. The successful candidate will lead the analysis of reaction data, develop reactivity descriptors from 2D and 3D molecular structures, and create solvent-dependent prediction models. The project is highly interdisciplinary, involving collaboration with industrial partners such as Lhasa Ltd., Molecule One, AstraZeneca, CatSci, and Concept Life Science, as well as academic collaborators at the University of Southampton and Imperial College London. Applicants should have a PhD in Chemistry (or have submitted their thesis), strong Python programming skills, and experience in computational chemistry and interdisciplinary teamwork. The position is fully funded, with a competitive salary, generous holiday allowance, pension scheme, and additional staff benefits. The role is based on campus with hybrid working options and may be suitable for visa sponsorship under the Skilled Worker or Global Talent routes. To apply, candidates should submit an online application via the University of Leeds job portal. For further information, contact Dr Bao Nguyen at [email protected]. This is an excellent opportunity for early career researchers interested in applying AI and cheminformatics to advance green chemistry and sustainable manufacturing.