98 citations · 488 across the 22 of their papers we have counts for
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Expressions for forces and torques in molecular simulations using rigid bodies
Michael P. Allen, Guido Germano
Expressions for intermolecular forces and torques, derived from pair potentials between rigid non-spherical units, are presented. The aim is to give compact and clear expressions,…
A Thermostat for Molecular Dynamics of Complex Fluids
Michael P. Allen, Friederike Schmid
A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invar…
Evaluation of Pressure Tensor in Constant-Volume Simulations of Hard and Soft Convex Bodies
Michael P. Allen
A method for calculating the pressure tensor in constant-volume Monte Carlo simulations of convex bodies is presented. In contrast to other approaches, the method requires only an…
Configurational Temperature in Membrane Simulations Using Dissipative Particle Dynamics
Michael P. Allen
The use of excessively long timesteps in dissipative particle dynamics simulations may produce simulation artifacts due to the generation of configurations which are not representa…
Spin Dynamics for the Lebwohl-Lasher Model
Michael P. Allen
A spin dynamics algorithm, combining checkerboard updating and a rotation algorithm based on the local second-rank ordering field, is developed for the Lebwohl-Lasher model of liqu…