AI and Data Modelling

The knowledge, experience and skills of the staff in our school are available to help you solve your problem.

Dr Patrick Boaler

PDRA in Kinetics and Mechanism

Expertise: Chemical process modelling; chemical kinetics; reaction optimisation; mechanistic study; physical organic chemistry; boron; NMR spectroscopy; UV-Vis spectroscopy; stopped-flow methodology; scientific computing; numerical modelling; software design; digital chemistry.

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Dr Valentina Erastova

Chancellor's Fellow

Expertise: Computational chemistry; molecular modelling; molecular dynamics; atomistic simulation; high-performance computing (HPC); data-driven modelling; interfacial chemistry; adsorption; porous materials; nanoporous materials; soft matter; formulations; polymeric systems; clay minerals; layered materials; biochar; carbon materials; organic-mineral interactions; confined fluids; pollutant capture; soil-contaminant interactions; hydrocarbon behaviour in shale nanopores; subsurface hydrogen storage; caprock integrity; oxide surfaces; catalyst surfaces; sustainable materials design; environmental remediation; nuclear waste management; open-source scientific software.

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Professor Julien Michel

Professor of Biomolecular Simulation

Expertise: Computer-aided drug design ; medicinal chemistry ; biophysical chemistry ; molecular simulations ; machine learning ; quantum computing.

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