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- Marcus N. Bannerman, R. Sargant, L. Lue
- Journal of Computational Chemistry
- 2011

Molecular dynamics algorithms for systems of particles interacting through discrete or "hard" potentials are fundamentally different to the methods for continuous or "soft" potential systems.â€¦ (More)

- Marcus N. Bannerman, Leo Lue, Leslie V. Woodcock
- The Journal of chemical physics
- 2010

Hard-sphere molecular dynamics (MD) simulation results, with six-figure accuracy in the thermodynamic equilibrium pressure, are reported and used to test a closed-virial equation-of-state. Thisâ€¦ (More)

- D. L. J. Alexander, Susan E. Libretto, M. J. Adams, E. W. Hughes, Marcus N. Bannerman
- Human & experimental toxicology
- 1996

1. HFA-134a was administered to AHA rats by snout-only inhalation for 1 h daily to assess the effects of treatment on reproduction and development. 2. In a fertility study, rats were exposed toâ€¦ (More)

- Marcus N. Bannerman, Jalene Magee, L. Lue
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2009

Recently, it has been demonstrated [Magee, Phys. Rev. Lett. 96, 207802 (2006)] that isolated square-well homopolymers can spontaneously break chiral symmetry and "freeze" into helical structures atâ€¦ (More)

- Chris Thomson, Leo Lue, Marcus N. Bannerman
- The Journal of chemical physics
- 2014

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 technique for creatingâ€¦ (More)

- Marcus N. Bannerman, Thomas E Green, Paul Grassia, Leo Lue
- Physical review. E, Statistical, nonlinear, andâ€¦
- 2009

The dynamics of sheared inelastic-hard-sphere systems is studied using nonequilibrium molecular-dynamics simulations and direct simulation Monte Carlo. In the molecular-dynamics simulationsâ€¦ (More)

- Marcus N. Bannerman, Leo Lue
- The Journal of chemical physics
- 2009

The static and dynamic properties of binary mixtures of hard spheres with a diameter ratio of sigma(B)/sigma(A)=0.1 and a mass ratio of m(B)/m(A)=0.001 are investigated using event driven molecularâ€¦ (More)

- Marcus N. Bannerman, H. Lehmann
- Journal of medicine
- 1970

- Marcus N. Bannerman, Leo Lue
- The Journal of chemical physics
- 2010

The properties of systems composed of atoms interacting though discrete potentials are dictated by a series of events which occur between pairs of atoms. There are only four basic event types forâ€¦ (More)