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Amalie L. Frischknecht - Publications

Affiliations: 
Sandia National Laboratories 
Area:
Theory and Simulation of Nanoscale Phenomena
Website:
http://cint.lanl.gov/amalie_frischknecht.shtml
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83 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Shock CJ, Stevens MJ, Frischknecht AL, Nakamura I. Molecular dynamics simulations of the dielectric constants of salt-free and salt-doped polar solvents. The Journal of Chemical Physics. 159. PMID 37795785 DOI: 10.1063/5.0165481  0.474
2023 Vigil DL, Stevens MJ, Frischknecht AL. Accurate Calculation of Solvation Properties of Lithium Ions in Nonaqueous Solutions. The Journal of Physical Chemistry. B. PMID 37676921 DOI: 10.1021/acs.jpcb.3c05591  0.487
2021 Lin EY, Frischknecht AL, Winey KI, Riggleman RA. Effect of surface properties and polymer chain length on polymer adsorption in solution. The Journal of Chemical Physics. 155: 034701. PMID 34293881 DOI: 10.1063/5.0052121  0.727
2020 Bollinger JA, Stevens MJ, Frischknecht AL. Quantifying Single-Ion Transport in Percolated Ionic Aggregates of Polymer Melts. Acs Macro Letters. 9: 583-587. PMID 35648490 DOI: 10.1021/acsmacrolett.0c00139  0.551
2020 Shock CJ, Stevens MJ, Frischknecht AL, Nakamura I. Solvation Energy of Ions in a Stockmayer Fluid. The Journal of Physical Chemistry. B. PMID 32368916 DOI: 10.1021/Acs.Jpcb.0C00769  0.557
2020 Bollinger JA, Stevens MJ, Frischknecht AL. Quantifying Single-Ion Transport in Percolated Ionic Aggregates of Polymer Melts Acs Macro Letters. 9: 583-587. DOI: 10.1021/Acsmacrolett.0C00139  0.564
2020 Lin EY, Frischknecht AL, Riggleman RA. Origin of Mechanical Enhancement in Polymer Nanoparticle (NP) Composites with Ultrahigh NP Loading Macromolecules. 53: 2976-2982. DOI: 10.1021/Acs.Macromol.9B02733  0.621
2020 Winey KI, Frischknecht AL. A Curated Experimental Compilation Analyzed by Theory Is More than a Review Macromolecules. 53: 6099-6101. DOI: 10.1021/Acs.Macromol.0C01291  0.504
2019 Clark JA, Santiso EE, Frischknecht AL. Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes). The Journal of Chemical Physics. 151: 104901. PMID 31521074 DOI: 10.1063/1.5116684  0.441
2019 Frischknecht AL, Winey KI. The evolution of acidic and ionic aggregates in ionomers during microsecond simulations. The Journal of Chemical Physics. 150: 064901. PMID 30769997 DOI: 10.1063/1.5085069  0.56
2019 Sorte EG, Frischknecht AL, Alam TM. NMR spin diffusion measurements in disordered polymers: Insights and limitations Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.045602  0.314
2019 Frischknecht AL, Paren BA, Middleton LR, Koski JP, Tarver JD, Tyagi M, Soles CL, Winey KI. Chain and Ion Dynamics in Precise Polyethylene Ionomers Macromolecules. 52: 7939-7950. DOI: 10.1021/Acs.Macromol.9B01712  0.571
2019 Koski JP, Krook NM, Ford J, Yahata Y, Ohno K, Murray CB, Frischknecht AL, Composto RJ, Riggleman RA. Phase Behavior of Grafted Polymer Nanocomposites from Field-Based Simulations Macromolecules. 52: 5110-5121. DOI: 10.1021/Acs.Macromol.9B00720  0.697
2019 Sorte EG, Paren BA, Rodriguez CG, Fujimoto C, Poirier C, Abbott LJ, Lynd NA, Winey KI, Frischknecht AL, Alam TM. Impact of Hydration and Sulfonation on the Morphology and Ionic Conductivity of Sulfonated Poly(phenylene) Proton Exchange Membranes Macromolecules. 52: 857-876. DOI: 10.1021/Acs.Macromol.8B02013  0.721
2018 Koski JP, Frischknecht AL. Fluctuation Effects on the Brush Structure of Mixed Brush Nanoparticles in Solution. Acs Nano. PMID 29346734 DOI: 10.1021/Acsnano.7B08271  0.377
2017 Koski JP, Ferrier RC, Krook NM, Chao H, Composto RJ, Frischknecht AL, Riggleman RA. Comparison of Field-Theoretic Approaches in Predicting Polymer Nanocomposite Phase Behavior Macromolecules. 50: 8797-8809. DOI: 10.1021/Acs.Macromol.7B01731  0.698
2017 Abbott LJ, Frischknecht AL. Nanoscale Structure and Morphology of Sulfonated Polyphenylenes via Atomistic Simulations Macromolecules. 50: 1184-1192. DOI: 10.1021/Acs.Macromol.6B02232  0.3
2017 Cheung J, Frischknecht AL, Perego M, Bochev P. A hybrid, coupled approach for modeling charged fluids from the nano to the mesoscale Journal of Computational Physics. 348: 364-384. DOI: 10.1016/J.Jcp.2017.07.030  0.319
2017 Sorte EG, Abbott LJ, Frischknecht AL, Wilson MA, Alam TM. Hydrophilic domain structure in polymer exchange membranes: Simulations of NMR spin diffusion experiments to address ability for model discrimination Journal of Polymer Science Part B: Polymer Physics. 56: 62-78. DOI: 10.1002/Polb.24439  0.352
2016 Simocko CK, Frischknecht AL, Huber DL. Phase Behavior of Ternary Polymer Brushes. Acs Macro Letters. 5: 149-153. PMID 35668590 DOI: 10.1021/acsmacrolett.5b00792  0.319
2016 Ting CL, Sorensen-Unruh KE, Stevens MJ, Frischknecht AL. Nonequilibrium simulations of model ionomers in an oscillating electric field. The Journal of Chemical Physics. 145: 044902. PMID 27475392 DOI: 10.1063/1.4959120  0.543
2016 Salerno KM, Frischknecht AL, Stevens MJ. Charged Nanoparticle Attraction in Multivalent Salt Solution: A Classical-Fluids Density Functional Theory and Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 27057763 DOI: 10.1021/Acs.Jpcb.6B01392  0.521
2016 Simocko CK, Frischknecht AL, Huber DL. Phase Behavior of Ternary Polymer Brushes Acs Macro Letters. 5: 149-153. DOI: 10.1021/Acsmacrolett.5B00792  0.429
2016 Middleton LR, Tarver JD, Cordaro J, Tyagi M, Soles CL, Frischknecht AL, Winey KI. Heterogeneous Chain Dynamics and Aggregate Lifetimes in Precise Acid-Containing Polyethylenes: Experiments and Simulations Macromolecules. 49: 9176-9185. DOI: 10.1021/Acs.Macromol.6B01918  0.577
2016 Ting CL, Composto RJ, Frischknecht AL. Orientational Control of Polymer Grafted Nanorods Macromolecules. 49: 1111-1119. DOI: 10.1021/Acs.Macromol.5B02434  0.449
2015 Ting CL, Jones BH, Frischknecht AL, Spoerke ED, Stevens MJ. Amphiphilic triblocks to control assembly of mixed or segregated bilayers and monolayers. Soft Matter. 11: 6800-7. PMID 26223906 DOI: 10.1039/C5Sm01447F  0.574
2015 Ting CL, Jones BH, Frischknecht AL, Spoerke ED, Stevens MJ. Amphiphilic triblocks to control assembly of mixed or segregated bilayers and monolayers Soft Matter. 11: 6800-6807. DOI: 10.1039/c5sm01447f  0.436
2015 Buitrago CF, Bolintineanu DS, Seitz ME, Opper KL, Wagener KB, Stevens MJ, Frischknecht AL, Winey KI. Direct comparisons of x-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and Ionomers Macromolecules. 48: 1210-1220. DOI: 10.1021/Ma5022117  0.716
2015 Ting CL, Stevens MJ, Frischknecht AL. Structure and dynamics of coarse-grained ionomer melts in an external electric field Macromolecules. 48: 809-818. DOI: 10.1021/Ma501916Z  0.538
2014 Frischknecht AL, Halligan DO, Parks ML. Electrical double layers and differential capacitance in molten salts from density functional theory. The Journal of Chemical Physics. 141: 054708. PMID 25106601 DOI: 10.1063/1.4891368  0.397
2014 Ting CL, Frischknecht AL, Stevens MJ, Spoerke ED. Electrostatically tuned self-assembly of branched amphiphilic peptides. The Journal of Physical Chemistry. B. 118: 8624-30. PMID 24945080 DOI: 10.1021/Jp503414P  0.513
2014 Lueth CA, Bolintineanu DS, Stevens MJ, Frischknecht AL. Hydrogen-bonded aggregates in precise acid copolymers. The Journal of Chemical Physics. 140: 054902. PMID 24511974 DOI: 10.1063/1.4863326  0.572
2014 Waters SM, McCoy JD, Frischknecht AL, Brown JR. Simulation of a small molecule analogue of a lithium ionomer in an external electric field. The Journal of Chemical Physics. 140: 014902. PMID 24410237 DOI: 10.1063/1.4855715  0.604
2014 Lueth CA, Bolintineanu DS, Stevens MJ, Frischknecht AL. Hydrogen-bonded aggregates in precise acid copolymers Journal of Chemical Physics. 140. DOI: 10.1063/1.4863326  0.419
2014 Waters SM, McCoy JD, Frischknecht AL, Brown JR. Simulation of a small molecule analogue of a lithium ionomer in an external electric field Journal of Chemical Physics. 140. DOI: 10.1063/1.4855715  0.522
2014 Ting CL, Frischknecht AL, Stevens MJ, Spoerke ED. Electrostatically tuned self-assembly of branched amphiphilic peptides Journal of Physical Chemistry B. 118: 8624-8630. DOI: 10.1021/jp503414p  0.407
2013 Bolintineanu DS, Stevens MJ, Frischknecht AL. Atomistic Simulations Predict a Surprising Variety of Morphologies in Precise Ionomers. Acs Macro Letters. 2: 206-210. PMID 35581883 DOI: 10.1021/mz300611n  0.51
2013 Ting CL, Frischknecht AL. Activated pathways for the directed insertion of patterned nanoparticles into polymer membranes. Soft Matter. 9: 9615-23. PMID 26029770 DOI: 10.1039/C3Sm51734A  0.377
2013 Hur SM, Frischknecht AL, Huber DL, Fredrickson GH. Self-assembly in a mixed polymer brush with inhomogeneous grafting density composition Soft Matter. 9: 5341-5354. DOI: 10.1039/C3Sm50173F  0.692
2013 Bolintineanu DS, Stevens MJ, Frischknecht AL. Atomistic simulations predict a surprising variety of morphologies in precise ionomers Acs Macro Letters. 2: 206-210. DOI: 10.1021/Mz300611N  0.563
2013 Frischknecht AL, Hore MJA, Ford J, Composto RJ. Correction to Dispersion of Polymer-Grafted Nanorods in Homopolymer Films: Theory and Experiment Macromolecules. 46: 8748-8748. DOI: 10.1021/Ma402091Q  0.38
2013 Bolintineanu DS, Stevens MJ, Frischknecht AL. Influence of cation type on ionic aggregates in precise ionomers Macromolecules. 46: 5381-5392. DOI: 10.1021/Ma400848M  0.57
2013 Frischknecht AL, Hore MJA, Ford J, Composto RJ. Dispersion of polymer-grafted nanorods in homopolymer films: Theory and experiment Macromolecules. 46: 2856-2869. DOI: 10.1021/Ma302461H  0.485
2012 Frink LJ, Frischknecht AL, Heroux MA, Parks ML, Salinger AG. Toward Quantitative Coarse-Grained Models of Lipids with Fluids Density Functional Theory. Journal of Chemical Theory and Computation. 8: 1393-408. PMID 26596753 DOI: 10.1021/Ct200707B  0.736
2012 Frischknecht AL, Padmanabhan V, Mackay ME. Surface-induced phase behavior of polymer/nanoparticle blends with attractions. The Journal of Chemical Physics. 136: 164904. PMID 22559503 DOI: 10.1063/1.4705308  0.386
2012 Hall LM, Seitz ME, Winey KI, Opper KL, Wagener KB, Stevens MJ, Frischknecht AL. Ionic aggregate structure in ionomer melts: effect of molecular architecture on aggregates and the ionomer peak. Journal of the American Chemical Society. 134: 574-87. PMID 22133577 DOI: 10.1021/Ja209142B  0.742
2012 Alam TM, Jenkins JE, Bolintineanu DS, Stevens MJ, Frischknecht AL, Buitrago CF, Winey KI, Opper KL, Wagener KB. Heterogeneous coordination environments in lithium-neutralized ionomers identified using 1H and 7Li MAS NMR Materials. 5: 1508-1527. DOI: 10.3390/Ma5081508  0.567
2012 Hore MJA, Frischknecht AL, Composto RJ. Nanorod assemblies in polymer films and their dispersion - Dependent optical properties Acs Macro Letters. 1: 115-121. DOI: 10.1021/Mz200031G  0.399
2012 Hall LM, Stevens MJ, Frischknecht AL. Dynamics of model ionomer melts of various architectures Macromolecules. 45: 8097-8108. DOI: 10.1021/Ma301308N  0.698
2012 Price AD, Hur SM, Fredrickson GH, Frischknecht AL, Huber DL. Exploring lateral microphase separation in mixed polymer brushes by experiment and self-consistent field theory simulations Macromolecules. 45: 510-524. DOI: 10.1021/Ma202542U  0.74
2012 Padmanabhan V, Frischknecht AL, MacKay ME. Effect of chain stiffness on nanoparticle segregation in polymer/nanoparticle blends near a substrate Macromolecular Theory and Simulations. 21: 98-105. DOI: 10.1002/Mats.201100048  0.365
2011 Frischknecht AL, Yethiraj A. Two- and three-body interactions among nanoparticles in a polymer melt. The Journal of Chemical Physics. 134: 174901. PMID 21548703 DOI: 10.1063/1.3585979  0.44
2011 Hall LM, Stevens MJ, Frischknecht AL. Effect of polymer architecture and ionic aggregation on the scattering peak in model ionomers. Physical Review Letters. 106: 127801. PMID 21517351 DOI: 10.1103/Physrevlett.106.127801  0.699
2011 Hall LM, Stevens MJ, Frischknecht AL. Effect of polymer architecture and ionic aggregation on the scattering peak in model ionomers Physical Review Letters. 106. DOI: 10.1103/PhysRevLett.106.127801  0.653
2011 Bell NS, Frischknecht AL, Piech M. Grafted low molecular weight polymers as steric stabilizers of commercial titania nanoparticles in polydimethylsiloxane fluids Journal of Dispersion Science and Technology. 32: 128-140. DOI: 10.1080/01932691003656789  0.436
2011 Hur SM, Frischknecht AL, Huber DL, Fredrickson GH. Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush Soft Matter. 7: 8776-8788. DOI: 10.1039/C1Sm05747B  0.719
2011 Hall LM, Stevens MJ, Frischknecht AL. Ionic aggregation and counterion dynamics in model ionomers 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings.  0.601
2011 Hall L, Stevens M, Frischknecht AL. Ionic aggregates abd counterion diffusion in model ionomers Acs National Meeting Book of Abstracts.  0.574
2010 Padmanabhan V, Frischknecht AL, Mackay ME. Binary fluid with attractions near a planar wall. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 82: 021507. PMID 20866818 DOI: 10.1103/Physreve.82.021507  0.317
2010 Frischknecht AL, McGarrity ES, Mackay ME. Expanded chain dimensions in polymer melts with nanoparticle fillers. The Journal of Chemical Physics. 132: 204901. PMID 20515108 DOI: 10.1063/1.3428760  0.448
2010 Hur SM, Frischknecht AL, Huber DL, Fredrickson GH. Field-based simulations of directed self-assembly in a mixed brush system Proceedings of Spie - the International Society For Optical Engineering. 7637. DOI: 10.1117/12.848416  0.695
2010 Tseng TC, McGarrity ES, Kiel JW, Duxbury PM, MacKay ME, Frischknecht AL, Asokan S, Wong MS. Three-dimensional liquid surfaces through nanoparticle self-assembly Soft Matter. 6: 1533-1538. DOI: 10.1039/B918429E  0.343
2009 Jin J, Wu J, Frischknecht AL. Modeling microscopic morphology and mechanical properties of block copolymer/nanoparticle composites Macromolecules. 42: 7537-7544. DOI: 10.1021/Ma9006686  0.399
2008 Frischknecht AL. Forces between nanorods with end-adsorbed chains in a homopolymer melt Journal of Chemical Physics. 128. PMID 18554048 DOI: 10.1063/1.2929831  0.442
2008 McGarrity ES, Frischknecht AL, Mackay ME. Phase behavior of polymer/nanoparticle blends near a substrate. The Journal of Chemical Physics. 128: 154904. PMID 18433274 DOI: 10.1063/1.2899329  0.452
2008 McGarrity ES, Duxbury PM, Mackay ME, Frischknecht AL. Calculation of entropie terms governing nanoparticle self-assembly in polymer films Macromolecules. 41: 5952-5954. DOI: 10.1021/Ma801003E  0.384
2007 McGarrity ES, Frischknecht AL, Frink LJ, Mackay ME. Surface-induced first-order transition in athermal polymer-nanoparticle blends. Physical Review Letters. 99: 238302. PMID 18233421 DOI: 10.1103/Physrevlett.99.238302  0.773
2005 Frischknecht AL, Frink LJD. Comparison of density functional theory and simulation of fluid bilayers Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 72. PMID 16383437 DOI: 10.1103/Physreve.72.041924  0.397
2005 Frink LJD, Frischknecht AL. Density functional theory approach for coarse-grained lipid bilayers Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 72. PMID 16383436 DOI: 10.1103/Physreve.72.041923  0.36
2005 Nath SK, Frischknecht AL, Curro JG, McCoy JD. Density functional theory and molecular dynamics simulation of poly(dimethylsiloxane) melts near silica surfaces Macromolecules. 38: 8562-8573. DOI: 10.1021/Ma051001K  0.744
2005 Curro JG, Frischknecht AL. The structure of poly(ethylene oxide) liquids: Comparison of integral equation theory with molecular dynamics simulations and neutron scattering Polymer. 46: 6500-6506. DOI: 10.1016/J.Polymer.2005.03.123  0.652
2004 Frischknecht AL, Curro JG. Comparison of random-walk density functional theory to simulation for bead-spring homopolymer melts. The Journal of Chemical Physics. 121: 2788-97. PMID 15281883 DOI: 10.1063/1.1768517  0.652
2004 Frischknecht AL, Curro JG. Comparison of random-walk density functional theory to simulation for bead-spring homopolymer melts Journal of Chemical Physics. 121: 2788-2797. DOI: 10.1063/1.1768517  0.558
2003 Frischknecht AL, Curro JG. Improved united atom force field for poly(dimethylsiloxane) Macromolecules. 36: 2122-2129. DOI: 10.1021/Ma025763G  0.553
2002 Frischknecht AL, Milner ST. Linear rheology of binary melts from a phenomenological tube model of entangled polymers Journal of Rheology. 46: 671-684. DOI: 10.1122/1.1459445  0.43
2002 Frink LJD, Salinger AG, Sears MP, Weinhold JD, Frischknecht AL. Numerical challenges in the application of density functional theory to biology and nanotechnology Journal of Physics Condensed Matter. 14: 12167-12187. DOI: 10.1088/0953-8984/14/46/320  0.322
2002 Frischknecht AL, Curro JG, Frink LJD. Density functional theory for inhomogeneous polymer systems. II. Application to block copolymer thin films Journal of Chemical Physics. 117: 10398-10411. DOI: 10.1063/1.1518686  0.675
2002 Frischknecht AL, Weinhold JD, Salinger AG, Curro JG, Frink LJD, McCoy JD. Density functional theory for inhomogeneous polymer systems. I. Numerical methods Journal of Chemical Physics. 117: 10385-10397. DOI: 10.1063/1.1518685  0.744
2002 Frischknecht AL, Milner ST, Pryke A, Young RN, Hawkins R, McLeish TCB. Rheology of three-arm asymmetric star polymer melts Macromolecules. 35: 4801-4820. DOI: 10.1021/Ma0101411  0.383
2001 Frischknecht AL, Milner ST. Model for the aggregation state of living anionic polymers Journal of Chemical Physics. 114: 1032-1050. DOI: 10.1063/1.1328068  0.47
2000 Frischknecht AL, Milner ST. Diffusion with contour length fluctuations in linear polymer melts Macromolecules. 33: 5273-5277. DOI: 10.1021/Ma992123D  0.399
2000 Frischknecht AL, Milner ST. Self-diffusion with dynamic dilution in star polymer melts Macromolecules. 33: 9764-9768. DOI: 10.1021/Ma000918A  0.369
1999 Frischknecht A, Fredrickson GH. Microphase boundaries and chain conformations in multiply branched diblock copolymers Macromolecules. 32: 6831-6836. DOI: 10.1021/Ma990372W  0.548
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