Publications

Numerical Methods

A combined molecular simulation-molecular 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.271-280

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.184-200

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.7457-65

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.10385-97

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.12167-87

Applying molecular theory to steady-state diffusing systems

Frink, LJD; Thompson, A; Salinger, AG
Source: JOURNAL OF CHEMICAL PHYSICS; MAY 1 2000; v.112, no.17, p.7564-7571

Two- and three-dimensional 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.425-39

Two- and three-dimensional 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.407-24

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.9106-16

Applications of DFT Software

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: 4081-4090

Density functional theory approach for coarse-grained 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.7466-76

Interactions and assembly of simple solvated polymers

Frink, LJD; Salinger, AG
Source: LANGMUIR; JAN 7 2003; v.19, no.1, p.182-185

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.10398-411

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 A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS; MAR 15 2000; v.162, no.1-3, p.25-36

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.3296-3301

Wetting of a chemically heterogeneous surface.

Frink, LJD; Salinger, AG
Source: Journal of Chemical Physics; 22 March 1999; vol.110, no.12, p.5969-77

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.2602-5

Solvation forces between rough surfaces

Frink, LJD; van Swol, F
Source: JOURNAL OF CHEMICAL PHYSICS; APR 1 1998; v.108, no.13, p.5588-5598

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.3782-91

Revisiting experimental tests of the Laplace-Kelvin equation.

Van Swol, F.; Frink, LJD
Source: Dynamics in Small Confining Systems III. Symposium, 2-5 Dec. 1996, Boston, MA, USA; p.159-64
Conference: Dynamics in Small Confining Systems III. Symposium, 2-5 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.2884-2890