158 citations · 263 across the 11 of their papers we have counts for
11 papers
Mapping continuous potentials to discrete forms
Chris Thomson, Leo Lue, Marcus N. Bannerman
The optimal conversion of a continuous inter-particle potential to a discrete equivalent is considered here. Existing and novel algorithms are evaluated to determine the best techn…
DynamO: A free O(N) general event-driven molecular-dynamics simulator
M. N. Bannerman, R. Sargant, L. Lue
Molecular-dynamics algorithms for systems of particles interacting through discrete or "hard" potentials are fundamentally different to the methods for continuous or "soft" potenti…
Structure and stability of helices in square-well homopolymers
M. N. Bannerman, J. E. Magee, L. Lue
Recently, it has been demonstrated [Magee et al., Phys. Rev. Lett. 96, 207802 (2006)] that isolated, square-well homopolymers can spontaneously break chiral symmetry and freeze int…
Transport properties of highly asymmetric hard sphere mixtures
Marcus N. Bannerman, Leo Lue
The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of and a mass ratio of are investigated using event driven…
Collision statistics in sheared inelastic hard spheres
Marcus N. Bannerman, Thomas E. Green, Paul Grassia +1
The dynamics of sheared inelastic-hard-sphere systems are studied using non-equilibrium molecular dynamics simulations and direct simulation Monte Carlo. In the molecular dynamics…
Density of States for a Short Overlapping-Bead Polymer: Clues to a Mechanism for Helix Formation?
James E. Magee, Leo Lue, Robin A. Curtis
The densities of states are evaluated for very short chain molecules made up of overlapping monomers, using a model which has previously been shown to produce helical structure. Th…