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. Â A strong competence in machine learning is essential, along with a genuine enthusiasm for research and creativity.
Further information here.
PhD studentship – ADVAncing noncovalent catalysis: synergistic approaches with quantum chemistry and machine learning – open
This competitive and multidisciplinary PhD project investigates the crucial role of noncovalent interactions in catalytic mechanisms, with an emphasis on organocatalysis and molecular design. The research integrates rigorous quantum chemical methods and advanced machine learning strategies to elucidate principles underlying catalytic activity and selectivity.
The project allows for customisation based on your expertise, spanning quantum theory development, machine learning model optimisation, or detailed mechanistic analysis. Scientific rigour and high standards of academic excellence will be maintained throughout, with a strong focus on the professional and scholarly growth of the candidate.
Applications are encouraged from candidates with a demonstrated background in quantum chemistry, machine learning, and catalysis—especially those with experience in noncovalent interactions. This is a highly competitive scholarship designed for individuals with an outstanding academic record and a proven commitment to scientific research. The successful candidate will join a dynamic, research-intensive group dedicated to advancing knowledge through innovation, rigorous methodology, and collaboration.
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.