Physical Chemistry and Pharmaceutics
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Our school integrates theoretical insight with applied innovation across physical chemistry and pharmaceutics. We specialise in advanced spectroscopic techniques to probe molecular structure, dynamics, and excited-state behaviour over different timescales. This is complemented by expertise in open quantum systems, multiscale modelling, and the use of AI for predictive simulation, enabling a fundamental understanding of complex chemical and material processes. Together with novel material development and advanced pharmaceutical and materials manufacturing, we connect fundamental science with real-world applications. Our interdisciplinary approach accelerates the development of new functional materials and pharmaceutical products, supported by active collaborations with industry partners.
We welcome engagement from students, academic collaborators, and industrial stakeholders who share our ambition to drive innovation at the interface of physical chemistry, data science, and pharmaceutical technology. Our work is supported by state-of-the-art equipment either within our laboratories or managed by the Faculty of Science Platforms.
Our research includes:
Advanced Spectroscopic Techniques to unravel the intricate details of molecular structures and their behaviour at the atomic level and ultrafast timescales. Applications include photomolecular motors, photoswitches incorporated into light-responsive materials, chromophore dimers for organic photovoltaics and biochromophores. We have unique strengths in NMR spectroscopy and ultrafast laser spectroscopies.
Development and application of advanced theoretical and computational methods at both quantum mechanical and classical levels for the modelling of molecular systems and chemical phenomena.
Applications span soft matter systems, drug delivery systems, open quantum systems and AI-driven modelling, prediction, and simulation. This enables us to accelerate material development by predicting properties and optimising designs with unprecedented efficiency.
Designing and synthesising new materials with tailored properties and functionalities for applications across pharmaceutics, foods and agriculture. We specialise in the development of advanced and sustainable manufacturing processes and the creation of new pharmaceutical and medical products, often in close collaboration with industry.
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Left: simple pH titrations by NMR spectroscopy; Right: resonance energy transfer and energy pooling
Members
Professor Yaroslav Khimyak (lead) NMR spectroscopy, structural determination of soft matter & pharmaceutical solids
Dr Giovanni Bressan Ultrafast, coherent and multidimensional spectroscopy
Dr James Bull Spectroscopy and dynamics of isolated molecules, instrument development, quantum chemical calculations
Dr Laszlo Fabian Structure and properties of multi-component solids
Dr Kayn Forbes Light-matter interactions, structured light, molecular chirality
Dr Garth Jones Quantum dynamics, quantum information, controlling quantum states
Professor Kate Kemsley New computational tools for NMR data analysis
Professor Steve Meech Understanding ultrafast dynamics of complex condensed phase systems
Dr Vasily Oganeysan Theoretical and computational chemistry
Professor Sheng Qi New materials, new manufacturing processes, 3D printing, medical devices
Dr Matthew Wallace NMR spectroscopy tool development
Recent selected publications
Unravelling guest dynamics in crystalline molecular organics using 2H solid-state NMR and molecular dynamics simulation. Valentina Erastova, Ivana R. Evans, William N. Glossop, Songül Guryel, Paul Hodgkinson, Hannah E. Kerr, Vasily S. Oganesyan, Lorna K. Softley, Helen M. Wickins, Mark R. Wilson. JACS 146, 27, 18360-69 (2024)
Imaging Saturation Transfer Difference (STD) NMR: affinity and specificity of protein-ligand interactions from a single NMR sample. Serena Monaco, Jesus Angulo, Matthew Wallace. JACS 145, 30, 16391-97 (2023).
Authentication of saffron using 60 MHz 1H NMR spectroscopy. Yvonne Gunning, Kate S. Davies, E. Kate Kemsley Food Chemistry 404, 134649 (2022).
Probing assembly/disassembly of ordered molecular hydrogels. Susana M. Ramalhete, Karol P. Nartowski, Hayley Green, Jesús Angulo, Dinu Iuga, László Fábián, Gareth O. Lloyd, Yaroslav Z. Khimyak. Faraday Discussions 255, 495-519 (2025).
Complex multistate photophysics of a rhodanine photoswitch. Anam Fatima, Pratip Chakraborty, Xinyue Xu, Garth A. Jones, Isabelle Chambrier, Giorgia Logan, Andrew N. Cammidge, Trevor Smith, Christopher R. Hall, Stephen R. Meech. Angewandte Chemie 64, 37, e202506137 (2025)
Phonon signatures in photon correlations. Ben S Humphries, Dale Green, Magnus O Borgh, Garth A Jones, Physical Review Letters, 131, 143601, (2023).