All Outputs (3)

Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface (2004)
Journal Article
Anderson, P., & Wilson, M. (2004). Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface. The Journal of Chemical Physics, 121(17), 8503-8510

Fully atomistic molecular dynamics simulations of amphiphilic graft copolymer molecules have been performed at a range of surface concentrations at a water/air interface. These simulations are compared to experimental results from a corresponding sys... Read More about Molecular dynamics simulations of amphiphilic graft copolymer molecules at a water/air interface.

Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation (2004)
Journal Article
Cheung, D., Clark, S., & Wilson, M. (2004). Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation. The Journal of Chemical Physics, 121(18), 9131-9139. https://doi.org/10.1063/1.1802231

Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data have been obtained for a series of temperatures in the... Read More about Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation.

Calculations of helical twisting powers from intermolecular torques (2004)
Journal Article
Earl, D., & Wilson, M. (2004). Calculations of helical twisting powers from intermolecular torques. The Journal of Chemical Physics, 120(20), 9679-9683

We present a Monte Carlo molecular simulation method that calculates the helical twisting power of a chiral molecule by sampling intermolecular torques. The approach is applied to an achiral nematic liquid crystalline system, composed of Gay-Berne pa... Read More about Calculations of helical twisting powers from intermolecular torques.