Karl P. Travis Ph.D.

Travis, Karl P.
Position Department / Business Unit
Department of Engineering Materials
Institution Disciplines
Sheffield University Engineering
City State / Provence
Country Website
U.K. link
+44 (0) 114 222 5943

Karl Travis joined the Department of Engineering Materials at Sheffield in 2003 from the University of Bradford.

His research involves the application of computer simulation to yield detailed and fundamental understanding of the behaviour of molecules and materials. In particular, he has used molecular simulation methods to test statistical mechanical theory, to gain fundamental understanding of the behaviour of liquids, and to design simulations which can be used to extract information which is difficult, if not impossible, to obtain by experiment. He is the co-author (with David Nicholson) of the multipurpose molecular simulation code (SIMAPOS) for performing Monte Carlo and Molecular Dynamics simulations of confined, and bulk, multicomponent fluids. His research has covered a variety of topics including
• Non-Equilibrium Statistical Mechanics.
• Transport properties.
• Properties of confined fluids.
• Physical adsorption of gases by zeolites.


He obtained both his BSc and PhD in Chemistry at UMIST and has held postdoctoral appointments at the Australian National Univeristy, Cornell University, North Carolina State University and Imperial College.

Important Articles

• C Braga and K P Travis 'A Configurational Temperature Nose-Hoover Thermostat' Journal Of Chemical Physics 2005.
• Zhou Z W, Todd B D, Travis K P and R Sadus 'A molecular dynamics study of nitric oxide in water: Diffusion and structure' Journal Of Chemical Physics 123 (5) Aug 1 2005.
• Zhang J F, Todd B D, Travis K P 'Viscosity of confined in homogeneous nonequilibrium fluids' Journal Of Chemical Physics 121 (21): 10778-10786 Dec 1 2004.
• Travis K P 'Simulation of the liquid state' Royal Society of Chemistry specialist periodical reports: chemical modelling: applications and theory volume 3, 2004.
• Travis K P 'Computer simulation investigation of diffusion selectivity in graphite slit pores' Molecular Physics 100 (14): 2317-2329 Jul 2002.

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