E. S. McGarrity

Delft University of Technology — Netherlands

Engineering · Physical Sciences

11h-index607citations28works0.02yr avg
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Research Topics

Phase Equilibria and Thermodynamics(7), Theoretical and Computational Physics(6), Microstructure and mechanical properties(4), Material Dynamics and Properties(4), Force Microscopy Techniques and Applications(4)

Publications28 total

A direct method for calculating thermodynamic factors for liquid mixtures using the Permuted Widom test particle insertion method
Molecular Physics·2012· 21 cited
Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations
Industrial & Engineering Chemistry Research·2012· 96 citedOpen Access
COSMO-3D: Introducing Steric Effects into COSMO Solvation Models
Bulletin of the American Physical Society·2012
Incorporation of an Improved Radial Distribution Function into Classical DFT
Bulletin of the American Physical Society·2012
Isonicotinamide self-association: the link between solvent and polymorph nucleation
Chemical Communications·2012· 132 citedOpen Access
Predictive Model for Optimizing Guest–Host Lennard–Jones Interactions in Zeolites
The Journal of Physical Chemistry C·2011· 2 cited
Fluids density functional theory studies of supramolecular polymers at a hard surface
The Journal of Chemical Physics·2010· 4 citedOpen Access
Expanded chain dimensions in polymer melts with nanoparticle fillers
The Journal of Chemical Physics·2010· 66 citedOpen Access
Three-dimensional liquid surfaces through nanoparticle self-assembly
Soft Matter·2010· 13 cited
Robust Three Dimensional Liquid Films through Nanoparticle Assembly
Bulletin of the American Physical Society·2009
Chain Expansion in Polymer-Nanoparticle Melts
Bulletin of the American Physical Society·2009
Calculation of Entropic Terms Governing Nanoparticle Self-Assembly in Polymer Films
Macromolecules·2008· 20 cited
Phase behavior of polymer/nanoparticle blends near a substrate
The Journal of Chemical Physics·2008· 67 cited
Entropically Driven Layering Near a Substrate: A Fluids DFT Study
Bulletin of the American Physical Society·2008
Surface-Induced First-Order Transition in Athermal Polymer-Nanoparticle Blends
Physical Review Letters·2007· 65 citedOpen Access
Effects of grain boundary constraint on properties of polycrystalline materials
Modelling and Simulation in Materials Science and Engineering·2007· 2 cited
Effects of grain boundary constraints on properties of polycrystalline materials
Bulletin of the American Physical Society·2007
Molecular Theory Studies of Polymer/Nanoparticle Blends Near Surfaces
Bulletin of the American Physical Society·2007
Conformational changes of chain molecules on an adsorbing substrate: Solvent and temperature effects.
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2006Open Access
Critical manifolds in non-linear response of complex materials
Mechanics of Materials·2006· 9 cited
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Frequent Co-authors

Amalie L. Frischknecht(10), Michael E. Mackay(10), Phillip M. Duxbury(9), Elizabeth A. Holm(8), Thijs J. H. Vlugt(3), Jan H. Meinke(3), Sondre K. Schnell(2), Sofı́a Calero(2), Mihran Tüceryan(2), P. M. Duxbury(2), K S McGarrity(2), Bryan W. Reed(2), Samir A. Kulkarni(1), Hugo Meekes(1), Joop H. ter Horst(1), Xin Liu(1), Ana Martín-Calvo(1), Jean-Marc Simon(1), Dick Bedeaux(1), Signe Kjelstrup(1)