Join us
We are a friendly, fast-growing group constantly looking for talented and enthusiastic students to join our team. Whether it be undergraduate research projects, summer placements, temporary research visits, PhD or postdoctoral positions, get in touch via email: cristina.trujillodelvalle@manchester.ac.uk
Our group researches computational organic chemistry, with projects involving (but not limited to) noncovalent-interactions-based organocatalysis, development of machine-learned models for catalyst design, as well as providing mechanistic insights for a variety of reaction types.
Current Availabilities
PhD studentship – Elevating Matched Pair Analysis with AI – open
We have a PhD studentship available to start November 2025. This project aims to provide new tools for naming/classifying parts of chemical structures, and explore the potential of generative AI for suggestion and ranking of structural modifications. In doing so you will develop algorithms that can be provided with the structure of a part of a molecule (e.g. a methyl group) and be able to reliably provide a name for that part of a molecule and to be able to classify it e.g. as a small alkyl group. You will also create tools that will enable chemists and patent law experts to draft improved patents. These naming tools will be made available to the wider chemical community. Furthermore, you will work with encodings of structural changes called SMIRKS and explore the ability of generative AI approaches to accurately and reliably envisage previously unseen structural changes and predict their effects.
Applicants should possess a First or Upper Second class (2:1) UK honours degree, or international equivalent, in a relevant subject. A strong competence in machine learning is essential, along with a genuine enthusiasm for research and creativity.
Further information here.
Pdra fellowship – marie sklodowska-curie actions
Open funding call available for applicants. People interested with a strong CV and background on our research (computational chemistry and/or machine learning) please get in contact through email.
Further information here.