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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

17,519 658- PDF

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

111 3- PDF

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

54 3- PDF

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

15 3

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

24 2- PDF

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

19 2

Molecular dynamics simulation using hard particles

- M. P. Allen, D. Frenkel, J. Talbot
- Materials Science
- 2 July 1989

101 1

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

63 1

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

78 1