AI and Data Modelling

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

Professor Philip J Camp

Professor of Theoretical Chemistry

Expertise: molecular dynamics simulations; statistical mechanics; soft matter; molecular liquids and solutions; surfactants; polymers; colloidal suspensions; ferrofluids; self-assembly; adsorption; rheology; tribology; lubrication; small-angle neutron and X-ray scattering; neutron reflectometry.

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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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