MTSM Research Group
Publications

1. Richard M. Jendrejack, Juan J. de Pablo and Michael D. Graham.
   "A method for multiscale simulation of flowing complex fluids".
   Journal of Non-Newtonian Fluid Mechanics, 108(1--3), 123--142, December 2002. [DOI] [Elsevier]
2. Evelina B. Kim, Roland Faller, Qiliang Yan, Nicholas L. Abbott, and Juan J. de Pablo.
   "Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate".
   Journal of Chemical Physics 117(16) 7781--7787, 2002 October 22. [DOI] [AIP/JCP]
3. Thomas R. Böhme and Juan J. de Pablo.
   "Evidence for size-dependent mechanical properties from simulations of nanoscopic polymeric structures".
   Journal of Chemical Physics 116(22) 9939--9951, 2002 June 8. [DOI] [AIP/JCP]
4. Qiliang Yan, Roland Faller, and Juan J. de Pablo.
   "Density-of-states Monte Carlo method for simulation of fluids".
   Journal of Chemical Physics 116(20) 8745--8749, 2002 May 22. [DOI] [AIP/JCP]
5. Joanne Budzien, Colleen Raphael, Mark D. Ediger, and Juan J. de Pablo.
   "Segmental dynamics in a blend of alkanes: Nuclear magnetic resonance experiments and molecular dynamics simulation".
   Journal of Chemical Physics 116(18) 8209--8217, 2002 May 8. [DOI] [AIP/JCP]
6. Richard M. Jendrejack, Juan J. de Pablo, and Michael D. Graham.
   "Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions".
   Journal of Chemical Physics 116(17) 7752--7759, 2002 May 1. [DOI] [AIP/JCP]
7. Roland Faller.
   "Structure and mobility of cyclohexane as a solvent for trans-polyisoprene".
   Physical Chemistry Chemical Physics 4(11) 2269--2272, 2002 May 1. [DOI] [RSC]
8. Tushar S. Jain and Juan J. de Pablo.
   "A biased Monte Carlo technique for calculation of the density of states of polymer films".
   Journal of Chemical Physics 116(16) 7238--7243, 2002 April 22. [DOI] [AIP/JCP]
9. Nitin Rathore and Juan J. de Pablo.
   "Monte Carlo simulations of proteins through a random walk in energy space".
   Journal of Chemical Physics 116(16):7225-7230, April 22, 2002. [doi:10.1063/1.1463059] [AIP/JCP]
10. Roland Faller, Qiliang Yan, and Juan J. de Pablo.
    "Multicanonical parallel tempering".
    Journal of Chemical Physics 116(13) 5419--5423, 2002 April 1. [DOI] [AIP/JCP]
11. Qiliang Yan and Juan J. de Pablo.
    "Phase equilibria of charge-, size-, and shape-asymmetric model electrolytes".
    Physical Review Letters, 88(3), 095504, March 2002. [DOI] [APS/PRL]
12. Qiliang Yan and Juan J. de Pablo.
    "Effect of charge, size, and shape-asymmetry on the phase behaviour of model electrolytes".
    Journal of Chemical Physics, 116(7), 2967--2972, 2002 February 15. [DOI] [AIP/JCP]
13. Roland Faller and Juan J. de Pablo.
    "Constant pressure hybrid Molecular Dynamics-Monte Carlo simulations".
    Journal of Chemical Physics 116(1) 55--59, 2002 January 1. [DOI] [AIP/JCP] Erratum: Journal of Chemical Physics 119(14) 7605, 2003 October 8. [DOI] [AIP/JCP]
14. Tushar S. Jain and Juan J. de Pablo.
    "Monte Carlo Simulation of Free-Standing Polymer Films near the Glass Transition Temperature".
    Macromolecules, 35(6), 2167--2176, January 2002.