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- Publications
- Influence
Computer Simulation of Liquids
- M. P. Allen, D. Tildesley
- Physics, Mathematics
- 11 February 1988
Introduction Statistical mechanics Molecular dynamics Monte Carlo methods Some tricks of the trade How to analyse the results Advanced simulation techniques Non-equilibrium molecular dynamics… Expand
Phase-Diagram of the Hard Biaxial Ellipsoid Fluid
- P. Camp, M. P. Allen
- Chemistry
- 22 April 1997
The phase diagram of fluids of hard biaxial ellipsoids with c/a=10 and b/a∈{1,10}, where a, b, and c are the semi-axes, has been studied using computer simulation. Four homogeneous phases are in… Expand
Drag on particles in a nematic suspension by a moving nematic-isotropic interface.
- J. West, A. Glushchenko, G. Liao, Y. Reznikov, D. Andrienko, M. P. Allen
- Materials Science, Medicine
- Physical review. E, Statistical, nonlinear, and…
- 4 May 2002
We report a clear demonstration of drag on colloidal particles by a moving nematic-isotropic interface. The balance of forces explains our observation of periodic, striplike structures that are… Expand
Molecular dynamics simulation of a chemical reaction in solution
- M. P. Allen, P. Schofield
- Chemistry
- 1980
We have carried out a study, using the molecular dynamics simulation technique, of a simple model describing a chemical reaction in solution. The model consists of a three body reaction complex, in… Expand
A thermostat for molecular dynamics of complex fluids
- M. P. Allen, F. Schmid
- Physics
- 20 June 2006
A thermostat of the Nosé–Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should… Expand
Shear viscosity for fluids of hard ellipsoids: A kinetic theory and molecular dynamics study
- S. Tang, G. Evans, C. P. Mason, M. P. Allen
- Chemistry
- 1 March 1995
The frequency‐dependent shear viscosity η(ω) and the shear‐orientation coupling parameter R are calculated for fluids of hard prolate ellipsoids of revolution, using kinetic theory and molecular… Expand
Molecular dynamics simulation using hard particles
- M. P. Allen, D. Frenkel, J. Talbot
- Materials Science
- 2 July 1989
Brownian dynamics simulation of a chemical reaction in solution
- M. P. Allen
- Chemistry
- 10 August 1980
We present a study, using the brownian dynamics simulation technique, of a simple model of a chemical reaction in solution. The model consists of the transfer of a particle between two substrate… Expand
On the anisotropy of diffusion in nematic liquid crystals: test of a modified affine transformation model via molecular dynamics
- S. Hess, D. Frenkel, M. P. Allen
- Chemistry
- 1 November 1991
An affine transformation model is applied to the diffusion coefficients of perfectly aligned and partially aligned ellipsoidal particles. It is tested against molecular dynamics simulations of hard… Expand