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Theory & Simulation Research at Warwick

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Biophysical chemistry
Simulations of proteins and cell membranes; Metals in biomolecules
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New simulation methods
Force fields parametrization; Rare event simulations
Rodger, Habershon
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Materials modelling
Organic and hybrid solar cells; Electron transport; Spin crossover
Troisi
Wavepackets
Quantum dynamics
Dynamics of quantum nuclei; Exciton and charge transport
Habershon, Troisi
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Soft Materials
Modelling of liquid crystals, polymers and biomolecules
Notman, Rodger, Troisi
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Related interdisciplinary initiatives
graduates
Thinking about joining us?
Contact us directly via the links below

PhD and MSc applications
Career vacancies via jobs.ac.uk

Why Theory & Simulation?

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Building quantitative models is the essence of science and allows us to explain and predict the properties of molecules and materials

Facilities

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Click the links below to view our excellent facilities
High-performance computing at

News

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