activity
19972021
most citedExpressions for forces and torques in molecular simulations using rigid bodies

98 citations · 488 across the 22 of their papers we have counts for

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10 papers · 1 filter

cond-mat.soft2021

Dynamics and Interactions of Quincke Roller Clusters: from Orbits and Flips to Excited States

Abraham Mauleon-Amieva, Michael P. Allen, C. Patrick Royall

Active matter systems may be characterised by the conversion of energy into active motion, e.g. the self-propulsion of microorganisms. Artificial active colloids form models which…

cond-mat.soft2020

Entropy production in an elementary, light driven micro-machine

Stuart J. Box, Michael P. Allen, David B. Phillips +1

We consider the basic, thermodynamic properties of an elementary micro-machine operating at colloidal length scales. In particular, we track and analyse the driven stochastic motio…

cond-mat.soft2017

Molecular simulations of entangled defect structures around nanoparticles in nematic liquid crystals

Anja Humpert, Samuel F. Brown, Michael P. Allen

We investigate the defect structures forming around two nanoparticles in a Gay-Berne nematic liquid crystal using molecular simulations. For small separations, disclinations entang…

cond-mat.soft2016★ 1 cited

Folding kinetics of a polymer [corrigendum]

Bart Vorselaars, Štěpán Růžička, David Quigley +1

In our original article (Phys. Chem. Chem. Phys., 2012, 14, 60446053) a convergence problem resulted in an averaging error in computing the entropy from a set of Wang-Landau Monte-…

cond-mat.soft2011★ 18 cited

Folding Kinetics of a Polymer

S. Ruzicka, D. Quigley, M. P. Allen

By simulating the first order globule-crystal transition of a flexible homopolymer chain, both by collision dynamics and Monte Carlo with non-kinetic moves, we show that the effect…

cond-mat.soft2006★ 14 cited

Structure of a liquid crystalline fluid around a macroparticle: Density functional theory study

David L. Cheung, Michael P. Allen

The structure of a molecular liquid, in both the nematic liquid crystalline and isotropic phases, around a cylindrical macroparticle, is studied using density functional theory. In…

cond-mat.soft2003★ 46 cited

Forces between elongated particles in a nematic colloid

D. Andrienko, M. Tasinkevych, P. Patricio +2

Using molecular dynamics (MD) simulations we study the interactions between elongated colloidal particles (length to breath ratio > 1) in a nematic host. The simulation results are…

cond-mat.soft2002★ 67 cited

Drag on particles in a nematic suspension by a moving nematic-isotropic interface

J. L. West, A. Glushchenko, G. Liao +3

We report the first clear demonstration of drag on colloidal particles by a moving nematic-isotropic interface. The balance of forces explains our observation of periodic, strip-li…

cond-mat.soft2002★ 21 cited

Theory and simulation of the nematic zenithal anchoring coefficient

D. Andrienko, M. P. Allen

Combining molecular simulation, Onsager theory and the elastic description of nematic liquid crystals, we study the dependence of the nematic liquid crystal elastic constants and t…

cond-mat.soft2002★ 87 cited

Defect structures and torque on an elongated colloidal particle immersed in a liquid crystal host

D. Andrienko, M. P. Allen, G. Skacej +1

Combining molecular dynamics and Monte Carlo simulation we study defect structures around an elongated colloidal particle embedded in a nematic liquid crystal host. By studying nem…