
Publications
Numerical Methods
 Toward Quantitative CoarseGrained Models of Lipids with Fluids Density Functional Theory
 Frink, LJD; Frischknecht, A.L.; Heroux, M.A.; Parks, M.L.; Salinger, A.G.
Source: J. CHEM. THEORY COMPUT.; 2012; v. 8, no. 4, 13931408
 Parallel segregated Schur complement methods for fluid density functional theories
 Heroux, MA; Salinger, AG; Frink, LJD
Source: SIAM J. SCI. COMPUT.; 2007; v. 29, no. 5, 20592077
 A combined molecular simulationmolecular theory method applied to a polyatomic molecule in a dense solvent
 Frink, LJD; Martin, M
Source: CONDENSED MATTER PHYSICS; 2005; v.8, no.2, p.271280
 A new efficient method for density functional theory calculations
of inhomogeneous fluids.
 Sears, MP; Frink, LJD
Source: Journal of Computational Physics; 1 Sept. 2003; vol.190,
no.1, p.184200
 Rapid analysis of phase behavior with density functional theory.
I. Novel numerical methods.
 Salinger, AG; Frink, LJD
Source: Journal of Chemical Physics; 22 April 2003; vol.118, no.16,
p.745765
 Density functional theory for inhomogeneous polymer systems. I.
Numerical methods.
 Frischknecht, AL; Weinhold, JD; Salinger, AG; Curro, JG; Frink,
LJD; McCoy, JD
Source: Journal of Chemical Physics; 8 Dec. 2002; vol.117, no.22,
p.1038597
 Numerical challenges in the application of density functional
theory to biology and nanotechnology.
 Frink, LJD; Salinger, AG; Sears, MP; Weinhold, JD; Frischknecht, AL
Source: Journal of Physics: Condensed Matter; 25 Nov. 2002; vol.14,
no.46, p.1216787
 Applying molecular theory to steadystate diffusing systems
 Frink, LJD; Thompson, A; Salinger, AG
Source: JOURNAL OF CHEMICAL PHYSICS; MAY 1 2000; v.112, no.17, p.75647571
 Two and threedimensional nonlocal density functional theory for
inhomogeneous fluids. II. Solvated polymers as a benchmark problem.
 Frink, LJD; Salinger, AG
Source: Journal of Computational Physics; 10 April 2000; vol.159, no.2, p.42539
 Two and threedimensional nonlocal density functional theory for
inhomogeneous fluids. I. Algorithms and parallelization.
 Frink, LJD; Salinger, AG
Source: Journal of Computational Physics; 10 April 2000; vol.159, no.2, p.40724
 Solvation forces and colloidal stability: a combined Monte Carlo
and density functional theory approach.
 Frink, LJD; van Swol, F
Source: Journal of Chemical Physics; 15 June 1994; vol.100, no.12, p.910616
Applications of DFT Software
 Dispersion of PolymerGrafted Nanorods in Homopolymer
Films: Theory and Experiemnt
 Frischknecht, A.L.; Hore, M.J.A.; Ford, J.;
Composto, R.J.
Source: MACROMOLECULES; 2013; v. 46, 28562869
 Toward Quantitative CoarseGrained Models of Lipids with Fluids Density Functional Theory
 Frink, LJD; Frischknecht, A.L.; Heroux, M.A.; Parks, M.L.; Salinger, A.G.
Source: J. CHEM. THEORY COMPUT.; 2012; v. 8, no. 4, 13931408
 Response behavior of diblock copolymer brushes in
explicit solvent

 K. Gong, B. D. Marshall, and W. G. Chapman
Source: J. CHEM. PHYS.; 2012; v. 137:
154904
 Surfaceinduced phase behavior of polymer/nanoparticle blends with attractions

 Frischknecht, AL; Padmanabhan, V.; Mackay, M.E.
Source: J. CHEM. PHYS.; 2012; v. 136:
164904
 Solvent response of mixed polymer brushes

 K. Gong and W. G. Chapman
Source: J. CHEM. PHYS.; 2011; v. 135:
214901
 Predictive Model for Optimizing GuestHost
LennardJones Interactions in Zeolites

 GarciaSanchez, A.; Eggink, E.; McGarrity, E.S.;
Calero, S.; Vlugt, T.H.H.
Source: J. PHYS. CHEM. C; 2011; v. 115: 1018710195
 Two and threebody interactions among nanoparticles in a polymer melt

 Frischknecht, AL; Yethiraj, A.
Source: J. CHEM. PHYS.; 2011; v. 134: 174901
 Binary fluid with attractions near a planar wall

 Padmanabhan, V; Frischknecht, AL; Mackay, ME
Source: PHYS. REV. E; 2010; v. 82: 021507
 Molecular Theory Applied to Lipid Bilayers and LipidProtein Interactions

 Frischknecht, AL; Frink LJD
Source: Biomembrane Frontiers: Nanostructures, Models, and the Design of Life,
R. Faller, T. Jue, M. L. Longo, and
S. H. Risbud, eds., Handbook of Modern Biophysics, v. 2 (SpringerHumana Press), 2009.
 Forces between nanorods with endadsorbed chains in a homopolymer melt

 Frischknecht, AL
Source: J. CHEM. PHYS.; 2008; v. 128: 224902
 Phase behavior of polymer/nanoparticle blends near a substrate

 McGarrity, ES; Frischknecht, AL; Mackay, ME
Source: J. CHEM. PHYS.; 2008; v. 128: 154904
 Surfaceinduced first order transition in athermal polymer/nanoparticle blends

 McGarrity, ES; Frischknecht, AL; Frink, LJD; Mackay, ME
Source: PHYS. REV. LETT.; 2007; v. 99: 238302
 Computational Investigations of Pore Forming Peptide Assemblies in Lipid Bilayers
 Frink, LJD; Frischknecht, AL
Source: PHYS. REV. LETT.; NOV. 2006; v. 97: ART. 208701
 Alcohols Reduce Lateral Membrane Pressures: Predictions from Molecular Theory
 Frischknecht, AL; Frink, LJD
Source: BIOPHYS. J; 2006; v. 91: 40814090
 Density functional theory approach for coarsegrained lipid bilayers
 Frink, LJD; AL Frischknecht
Source: PHYSICAL REVIEW E; OCT 2005; v.72, no.4, pt.1, p.041923
 Comparison of density functional theory and simulation of fluid bilayers
 AL Frischknecht; Frink, LJD
Source: PHYSICAL REVIEW E; OCT 2005; v.72, no.4, pt.1, p.041924
 Rapid analysis of phase behavior with density functional theory.
II. Capillary condensation in disordered porous media.
 Frink, LJD; Salinger, AG
Source: Journal of Chemical Physics; 22 April 2003; vol.118, no.16, p.746676
 Interactions and assembly of simple solvated polymers
 Frink, LJD; Salinger, AG
Source: LANGMUIR; JAN 7 2003; v.19, no.1, p.182185
 Density functional theory for inhomogeneous polymer systems. II.
Application to block copolymer thin films.
 Frischknecht, AL; Curro, JG; Frink, LJD
Source: Journal of Chemical Physics; 8 Dec. 2002; vol.117, no.22, p.10398411
 A common theoretical basis for surface forces apparatus, osmotic
stress, and beam bending measurements of surface forces
 Frink, LJD; van Swol, F
Source: COLLOIDS AND SURFACES APHYSICOCHEMICAL AND ENGINEERING
ASPECTS; MAR 15 2000; v.162, no.13, p.2536
 Stress isotherms of porous thin materials: Theoretical predictions
from a nonlocal density functional theory
 Frink, LJD; van Swol, F
Source: LANGMUIR; APR 27 1999; v.15, no.9, p.32963301
 Wetting of a chemically heterogeneous surface.
 Frink, LJD; Salinger, AG
Source: Journal of Chemical Physics; 22 March 1999; vol.110, no.12, p.596977
 Direct measurement of solvation forces in complex microporous media: a
new characterization tool.
 Samuel, J; Brinker, CJ; Frink, LJD; van Swol, F
Source: Langmuir; 12 May 1998; vol.14, no.10, p.26025
 Solvation forces between rough surfaces
 Frink, LJD; van Swol, F
Source: JOURNAL OF CHEMICAL PHYSICS; APR 1 1998; v.108, no.13, p.55885598
 A molecular theory for surface forces adhesion measurements.
 Frink, LJD; van Swol, F
Source: Journal of Chemical Physics; 1 March 1997; vol.106, no.9, p.378291
 Revisiting experimental tests of the LaplaceKelvin equation.
 Van Swol, F.; Frink, LJD
Source: Dynamics in Small Confining Systems III. Symposium, 25 Dec. 1996,
Boston, MA, USA; p.15964
Conference: Dynamics in Small Confining Systems III. Symposium, 25 Dec.
1996, Boston, MA, USA
 Oscillatory surface forces: A test of the superposition approximation
 Frink, LJD; vanSwol, F
Source: JOURNAL OF CHEMICAL PHYSICS; AUG 15 1996; v.105, no.7, p.28842890
