Liquid state chemical physics


Our research interests include nonequilibrium statistical mechanics and thermodynamics. We have been involved in the development of nearly all of the computer simulation algorithms used for the calculation of transport properties of classical atomic, molecular and short-chain polymeric fluids and lubricants. Algorithms that we have proposed are used to compute the viscosities, thermal conductivities, and diffusion coefficients for molecular fluids and fluid mixtures.

We are known for deriving and experimentally confirming the Fluctuation Theorem. This Theorem gives an elegant extension of the Second Law of Thermodynamics, so that it applies to finite systems observed for finite times. It also provides the first proof of the Second Law of Thermodynamics - it ceases to be a 'Law'. This theorem has important implications for nanotechnology. This result is exact for classical systems and quantum anologues are known.


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Updated:  25 September 2018/Responsible Officer:  Director, RSC/Page Contact:  Web Admin, RSC