Numerical challenges in the application of density functional theory to biology and nanotechnology

M P Sears , J D Weinhold , A L Frischknecht , L J D Frink
Journal of Physics: Condensed Matter 14 ( 46) 12167 -12187

57
2002
Surface-Induced First-Order Transition in Athermal Polymer-Nanoparticle Blends

E. S. McGarrity , A. L. Frischknecht , L. J. D. Frink , M. E. Mackay
Physical Review Letters 99 ( 23) 238302

55
2007
Phase behavior of polymer/nanoparticle blends near a substrate

E. S. McGarrity , A. L. Frischknecht , M. E. Mackay
The Journal of Chemical Physics 128 ( 15) 154904 -154904

61
2008
Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)

J. A. Clark , E. E. Santiso , A. L. Frischknecht
J Chem Phys 151 104901 -104901

14
2019
Subdiffusive High-Pressure Hydrogen Gas Dynamics in Elastomers

M. Brownell , A. L. Frischknecht , M. A. Wilson
Macromolecules 55 3788 -3800

10
2022
Morphology−Diffusivity Relationships in Fluorine-Free Random Terpolymers for Proton-Exchange Membranes

M. S. Win , K. I. Winey , A. L. Frischknecht
Macromolecules 56 ( 23) 9905 -9913

2023
THE ANHARMONIC BENDING VIBRATION OF THE NACL DIMER

Amalie L. Frischknecht , Richard J. Mawhorter
Molecular Physics 93 ( 4) 583 -592

2
1998
Self-Assembled Vesicles from Mixed Brush Nanoparticles in Solution

Amalie L. Frischknecht , Jason P. Koski
Macromolecules

2021
Density Functional Theory and Molecular Dynamics Simulation of Poly(dimethylsiloxane) Melts near Silica Surfaces

Shyamal K. Nath , Amalie L. Frischknecht , John G. Curro , John D. McCoy
Macromolecules 38 ( 20) 8562 -8573

5
2005
Linear rheology of binary melts from a phenomenological tube model of entangled polymers

Amalie L. Frischknecht , Scott T. Milner
Journal of Rheology 46 ( 3) 671 -684

10
2002
Why the anisotropic planar rotor model is nearly second order

Scott T. Milner , Amalie L. Frischknecht
Journal of Chemical Physics 114 ( 22) 9733 -9740

2
2001
Fluctuation Effects on the Brush Structure of Mixed Brush Nanoparticles in Solution.

Jason P. Koski , Amalie L. Frischknecht
ACS Nano 12 ( 2) 1664 -1672

9
2018
Charged Nanoparticle Attraction in Multivalent Salt Solution: A Classical-Fluids Density Functional Theory and Molecular Dynamics Study

K. Michael Salerno , Amalie L. Frischknecht , Mark J. Stevens
Journal of Physical Chemistry B 120 ( 26) 5927 -5937

7
2016
Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

Christina L. Ting , Amalie L. Frischknecht , Mark J. Stevens , Erik D. Spoerke
Journal of Physical Chemistry B 118 ( 29) 8624 -8630

3
2014
Rheology of Three-Arm Asymmetric Star Polymer Melts

Amalie L. Frischknecht , Scott T. Milner , Andrew Pryke , Ron N. Young
Macromolecules 35 ( 12) 4801 -4820

77
2002
Improved United Atom Force Field for Poly(dimethylsiloxane)

Amalie L. Frischknecht , John G. Curro
Macromolecules 36 ( 6) 2122 -2129

35
2003
Comparison of Field-Theoretic Approaches in Predicting Polymer Nanocomposite Phase Behavior

Jason P. Koski , Robert C. Ferrier , Jr. , Nadia M. Krook
Macromolecules 50 ( 21) 8797 -8809

4
2017
Impact of Hydration and Sulfonation on the Morphology and Ionic Conductivity of Sulfonated Poly(phenylene) Proton Exchange Membranes

Eric G. Sorte , Benjamin A. Paren , Christina G. Rodriguez , Cy Fujimoto
Macromolecules 52 ( 3) 857 -876

56
2019
Density functional theory for inhomogeneous polymer systems. II. Application to block copolymer thin films

Amalie L. Frischknecht , John G. Curro , Laura J. Douglas Frink
Journal of Chemical Physics 117 ( 22) 10398 -10411

49
2002
Density functional theory for inhomogeneous polymer systems. I. Numerical methods

Amalie L. Frischknecht , Jeffrey D. Weinhold , Andrew G. Salinger , John G. Curro
Journal of Chemical Physics 117 ( 22) 10385 -10397

42
2002