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Dr Bart Vorselaars

Research interests

Currently I am working on crystallisation and rare events, in particular of cholesterol, with David Quigley:

  • Monte Carlo techniques for accelerating molecular dynamics simulations
  • Nucleation and growth of crystals (with Yuri Lifanov)
  • Free energy calculations of liquid and solid organic materials
  • Phase behaviour of short semiflexible chains (with Joel Nicholls)
  • Crystalline cholesterol

Some of the other subjects I have an interest in are:

  • Polymer dynamics
    • Entanglements and glass transition in polymer blends
    • Reptation model of polydisperse linear polymer melts
    • Tube model of monodisperse linear and star-like polymers
  • Polymer structure
    • Self consistent field theory of diblock copolymers on a sphere
    • Coarse-grained description of diblock copolymers

Teaching

  • CY900: Foundations in Scientific Computing

Publications

Refereed journal publications

  • A.E. Likhtman, M.S. Talib, B. Vorselaars, J. Ramirez, Determination of tube theory parameters using a simple grid model as an example, Macromolecules, 46, 1187-1200, (2013) doi
  • B. Vorselaars, J.U. Kim, T.L. Chantawansri, G.H. Fredrickson, M.W. Matsen, Self-consistent field theory for diblock copolymers grafted to a sphere, Soft Matter, 7, 5128-5137, (2011) pdf, doi, hot article, cover
    On the cover of Soft Matter
  • G.H. Griffiths, B. Vorselaars, M.W. Matsen, Diblock-copolymer brushes grafted to spherical particles, Macromolecules, 44, 3649-3655, (2011) pdf, doi
  • J. Ramirez, S. Sukumaran, B. Vorselaars, A.E. Likhtman, Efficient on the fly calculation of time correlation functions in computer simulations, J. Chem. Phys., 133, 154103-1-12, (2010) pdf, doi, top 20 downloads
  • B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Microscopic Mechanisms of Strain Hardening in Glassy Polymers, Macromolecules, 42, issue 15, 5829-5842, (2009) doi
  • B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Deforming glassy polystyrene: influence of pressure, thermal history and deformation mode on yielding and hardening, J. Chem. Phys., 130, 074905-1-14, (2009) and Virtual J. Biological Physics Research, 17, issue 5, (2009) pdf, doi
  • T. Mulder, V.A. Harmandaris, A.V. Lyulin, N.F.A. van der Vegt, B. Vorselaars, M.A.J. Michels, Equilibration and deformation of amorphous polystrene: scale-jumping simulational approach, Macromol. Theor. Simul., 17, 290-300, (2008) doi
  • B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Development of heterogeneity near the glass transition: phenyl-ring-flip motions in polystyrene, Macromolecules, 40, 6001-6011, (2007) doi
  • B. Vorselaars, A.V. Lyulin, K. Karatasos, M.A.J. Michels, Non-Gaussian nature of glassy dynamics by cage to cage motion, Phys. Rev. E, 75, 01154-1-6, (2007) and Virtual J. Biological Physics Research, 13, issue 3, (2007) doi
  • A.V. Lyulin, J. Li, T. Mulder, B. Vorselaars, M.A.J. Michels, Atomistic simulation of bulk mechanics and local dynamics of amorphous polymers, Macromol. Symp., 237, 108-118, (2006) doi
  • J. Li, T. Mulder, B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Monte Carlo simulation of uniaxial tension of an amorphous polyethylene-like polymer glass, Macromolecules, 39, 7774-7782, (2006) doi
  • A.V. Lyulin, B. Vorselaars, M.A. Mazo, N.K. Balabaev, M.A.J. Michels, Strain softening and hardening of amorphous polymers: atomistic simulation of bulk mechanics and local dynamics, Europhysics Letters, 71, 618-624, (2005) doi
  • A.D. Staicu, B. Vorselaars, W. van de Water, Turbulence anisotropy and the SO(3) description, Phys. Rev. E, 68(4), 046303-1-12, (2003) doi

Non-refereed proceedings and other publications

  • B. Vorselaars, S. Ruzicka, D. Quigley, M.P. Allen, Folding kinetics of a polymer (corr), Phys. Chem. Chem. Phys. (2013) link
  • A.V. Lyulin, B. Vorselaars, M.A.J. Michels, Molecular-dynamics simulation of amorphous polymers in the isotropic state and under uniaxial deformation, in Proceedings of the CIMTEC conference; Editors: P. Vincenzini and A. Lami, Sicily, Italy, 743-750, (2004)

Own thesis

  • B. Vorselaars, Local dynamics and deformation of glass-forming polymers: modelling and atomistic simulations, Technische Universiteit Eindhoven, Eindhoven, The Netherlands (2008) link

Theses (supervised)

  • Joel Nicholls (summer project, co-supervised, 2013)
  • Yuri Lifanov (summer project 2012, co-supervised, 2012)
  • Dipesh Amin (MSc project, supervised, 2010-2011)
  • Mohamad Shukor Talib (PhD thesis, co-supervised, 2010-2012)
  • Jing Li (co-supervised, 2005)

Write To:

Department of Physics, University of Warwick, Coventry, CV4 7AL

Contact Details:

Office: PS130
Telephone:
+44 (0)24 765 23413
Fax:
+44 (0)24 761 50897
E-Mail:
B.Vorselaars@warwick.ac.uk

Links:

www.bvorselaars.com