Google Scholar for Scott T. Milner

Recent Publications

2022

Ritwick Kali and Scott T. Milner. Insertion Free Energy of PAP[5] Water Channels into Block Copolymer Membranes. Mol Syst Des Eng 2022. https://doi.org/10.1039/d1me00129a. 

Sai Vineeth Bobbili and Scott T. Milner. Closed-Loop Phase Behavior of Nonstoichiometric Coacervates in Coarse-Grained Simulations. Macromolecules 2022, 55 (2), 511–516. https://doi.org/10.1021/acs.macromol.1c02115. 

2021

Wezi D. Mkandawire and Scott T. Milner. Simulated Osmotic Equation of State for Poly(Ethylene Oxide) Solutions Predicts Tension-Induced Phase Separation. Macromolecules 2021, 54 (8), 3613–3619. https://doi.org/10.1021/acs.macromol.0c02334. 

Shreya Shetty, Enrique D. Gomez, and  Scott T. Milner. Predicting χ of Polymer Blends Using Atomistic Morphing Simulations. Macromolecules 2021, 54 (22), 10447–10455. https://doi.org/10.1021/acs.macromol.1c01550. 

Ritwick Kali, Erha Andini, and  Scott T. Milner. Molecular Dynamics Simulation Based Design of Biomimetic Membrane with Artificial Water Channels. J Membrane Sci 2021, 630. https://doi.org/10.1016/j.memsci.2021.119279. 

Sai Vineeth Bobbili and Scott T. Milner. Measuring Packing Length in Simulations for Different Polymer Architectures. Journal of Rheology 2021, 65 (6), 1245–1253. https://doi.org/10.1122/8.0000305. 

Sai Vineeth Bobbili and Scott T. Milner. A Simple Simulation Model for Complex Coacervates. Soft Matter 2021, 17 (40), 9181–9188. https://doi.org/10.1039/d1sm00881a. 

2020

Colin Gillespie and Scott T. Milner. Using Osmotic Pressure Simulations to Test Potentials for Ions. Soft Matter 2020, 16 (42), 9816–9821. https://doi.org/10.1039/d0sm00957a. 

Scott T. Milner. Unified Entanglement Scaling for Flexible, Semiflexible, and Stiff Polymer Melts and Solutions. Macromolecules 2020, 53 (4), 1314–1325. https://doi.org/10.1021/acs.macromol.9b02684. 

Pramudit Tipirneni, Vishal Jindal, Michael J. Janik, and Scott T. Milner. Tight Binding Models Accurately Predict Band Structures for Copolymer Semiconductors. Phys Chem Chem Phys 2020, 347, 539. https://doi.org/10.1039/d0cp01833c. 

Sai Vineeth Bobbili and Scott T. Milner. Simulation Study of Entanglement in Semiflexible Polymer Melts and Solutions. Macromolecules 2020, 53 (10), 3861–3872. https://doi.org/10.1021/acs.macromol.9b02681. 

Joel H. Bombile, Shreya Shetty, Michael J. Janik, and Scott T. Milner. Polaron Hopping Barriers and Rates in Semiconducting Polymers. Phys Chem Chem Phys 2020, 22 (7), 4032–4042. https://doi.org/10.1039/c9cp06039a. 

Shreya Shetty, Milena M. Adams, Enrique D. Gomez, and Scott T. Milner. Morphing Simulations Reveal Architecture Effects on Polymer Miscibility. Macromolecules 2020 53 (21), 9386–9396. https://doi.org/10.1021/acs.macromol.0c01154. 

Sai Vineeth Bobbili and Scott T. Milner. Chain Tension Reduces Monomer Friction in Simulated Polymer Melts. Journal of Rheology 2020, 64 (6), 1373. https://doi.org/10.1122/8.0000091. 

2019

Wenlin Zhang, Joel H. Bombile, A. R. Weisen, R. Xie, Ralph H. Colby, Michael J. Janik, Scott T. Milner, and Enrique D. Gomez. Thermal Fluctuations Lead to Cumulative Disorder and Enhance Charge Transport in Conjugated Polymers. Macromol Rapid Comm 2019, 110, 1900134. https://doi.org/10.1002/marc.201900134. 

Shreya Shetty, Enrique D. Gomez, and Scott T. Milner. Nematic Coupling in Polybutadiene from MD Simulations. Macromolecules 2019, 52 (2), 528–534. https://doi.org/10.1021/acs.macromol.8b02209. 

Joel H. Bombile, Michael J. Janik, and Scott T. Milner. Energetics of Exciton Binding and Dissociation in Polythiophenes: A Tight Binding Approach. Phys Chem Chem Phys 2019, 21 (22), 11999–12011. https://doi.org/10.1039/c9cp01116a. 

Z. Chen, J. W. Chang, C. Balasanthiran, Scott T. Milner, and Robert M. Rioux. Anisotropic Growth of Silver Nanoparticles Is Kinetically Controlled by Polyvinylpyrrolidone Binding. J Am Chem Soc 2019, 141 (10), 4328–4337. https://doi.org/10.1021/jacs.8b11295. 

2018

B. Nazari, H. Tran, B. Beauregard, M. Flynn-Hepford, D. Harrel, Scott T. Milner, and Ralph H. Colby. Two Distinct Morphologies for Semicrystalline Isotactic Polypropylene Crystallized after Shear Flow. Macromolecules 2018, 51 (13), 4750–4761. https://doi.org/10.1021/acs.macromol.8b00563. 

P. Zhan, Wenlin Zhang, I. E. Jacobs, D. M. Nisson, R. Xie, A. R. Weissen, Ralph H. Colby, A. J. Moulé, Scott T. Milner, Janna K. Maranas, and Enrique D. Gomez. Side Chain Length Affects Backbone Dynamics in Poly(3-Alkylthiophene)s. J Polym Sci Pol Phys 2018, 56 (17), 1193–1202. https://doi.org/10.1002/polb.24637. 

Qin Chen and Scott T. Milner. Effects of Anisotropy and Disorder on Crystal–Melt Tensions in Polyolefins. Macromolecules 2018, 51 (18), 7121–7133. https://doi.org/10.1021/acs.macromol.8b01248. 

Yuxing Zhou and Scott T. Milner. A Geometrical Criterion for Glass Transition in Soft- Sphere Fluids. Soft Matter 2018, 14 (34), 7075–7082. https://doi.org/10.1039/c8sm01148f. 

Bombile, J. H., Janik, M. J., and Milner, S. T. “Polaron Formation Mechanisms in Conjugated Polymers” Physical Chemistry Chemical Physics 20, no. 1 (2018): 317–331. doi:10.1039/C7CP04355D

Zhang, W., Milner, S. T., and Gomez, E. D. “Nematic Order Imposes Molecular Weight Effect on Charge Transport in Conjugated Polymers” ACS Central Science 4, no. 3 (2018): 413–421. doi:10.1021/acscentsci.8b00011

Zhou, Y. and Milner, S. T. “Average and Local T-G Shifts of Plasticized PVC From Simulations” Macromolecules 51, no. 10 (2018): 3865–3873. doi:10.1021/acs.macromol.8b00271

2017

Luo, J., Zhou, Y., Milner, S. T., Pantano, C. G., and Kim, S. H. “Molecular Dynamics Study of Correlations Between IR Peak Position and Bond Parameters of Silica and Silicate Glasses: Effects of Temperature and Stress” Journal Of The American Ceramic Society 101, no. 1 (2017): 178–188. doi:10.1111/jace.15187

Rudzinski, J. F., Lu, K., Milner, S. T., Maranas, J. K., and Noid, W. G. “Extended Ensemble Approach to Transferable Potentials for Low Resolution Coarse-Grained Models of Ionomers” Journal Of Chemical Theory And Computation 13, no. 5 (2017): 2185–2201. doi:10.1021/acs.jctc.6b01160

Chen, Q., Kozuch, D., and Milner, S. T. “‘Plunger’ Method for Simulating Crystal-Melt Interfacial Free Energies” Macromolecules 50, no. 12 (2017): 4797–4806. doi:10.1021/acs.macromol.7b00421

Chen, Q. and Milner, S. T. “Predicting Raman Spectra of Condensed Polymer Phases From MD Simulations” Macromolecules 50, no. 24 (2017): 9773–9787. doi:10.1021/acs.macromol.7b01202

Lu, K., Maranas, J. K., and Milner, S. T. “Depletion Attraction of Sheet-Like Ion Aggregates in Low-Dielectric Ionomer Melts” Journal Of Chemical Physics 146, no. 6 (2017): doi:10.1063/1.4973931

Zhang, W., Gomez, E. D., and Milner, S. T. “Predicting Flory-Huggins Chi From Simulations” Physical Review Letters 119, no. 1 (2017): doi:10.1103/PhysRevLett.119.017801

Zhou, Y. and Milner, S. T. “Short-Time Dynamics Reveals T-G Suppression in Simulated Polystyrene Thin Films” Macromolecules 50, no. 14 (2017): 5599–5610. doi:10.1021/acs.macromol.7b00921

2016

Li, Z., Fichthorn, K. A., and Milner, S. T. “Surfactant Binding to Polymer–Water Interfaces in Atomistic Simulations” Langmuir 32, no. 30 (2016): 7519–7529. doi:10.1021/acs.langmuir.6b01393

Hamad, F. G., Colby, R. H., and Milner, S. T. “Transition in Crystal Morphology for Flow-Induced Crystallization of Isotactic Polypropylene” Macromolecules (2016): acs.macromol.6b00303–15. doi:10.1021/acs.macromol.6b00303

Kozuch, D. J., Zhang, W., and Milner, S. T. “Predicting the Flory-Huggins Parameter for Polymers with Stiffness Mismatch From Molecular Dynamics Simulations” Polymers 8, no. 6 (2016): doi:10.3390/polym8060241

Bombile, J. H., Janik, M. J., and Milner, S. T. “Tight Binding Model of Conformational Disorder Effects on the Optical Absorption Spectrum of Polythiophenes” Physical Chemistry Chemical Physics 18, no. 18 (2016): 12521–12533. doi:10.1039/c6cp00832a

DeFelice, J., Milner, S. T., and Lipson, J. E. G. “Simulating Local T-G Reporting Layers in Glassy Thin Films” Macromolecules 49, no. 5 (2016): 1822–1833. doi:10.1021/acs.macromol.6b00090

Grieco, C., Aplan, M. P., Rimshaw, A., Lee, Y., Le, T. P., Zhang, W., Wang, Q., Milner, S. T., Gomez, E. D., and Asbury, J. B. “Molecular Rectification in Conjugated Block Copolymer Photovoltaics” Journal Of Physical Chemistry C 120, no. 13 (2016): 6978–6988. doi:10.1021/acs.jpcc.6b00103

Li, Z., Van Dyk, A. K., Fitzwater, S. J., Fichthorn, K. A., and Milner, S. T. “Atomistic Molecular Dynamics Simulations of Charged Latex Particle Surfaces in Aqueous Solution” Langmuir 32, no. 2 (2016): 428–441. doi:10.1021/acs.langmuir.5b03942

Lu, K., Maranas, J. K., and Milner, S. T. “Ion-Mediated Charge Transport in Ionomeric Electrolytes” Soft Matter 12, no. 17 (2016): 3943–3954. doi:10.1039/c6sm00524a

Qin, J. and Milner, S. T. “Tube Dynamics Works for Randomly Entangled Rings” Physical Review Letters 116, no. 6 (2016): doi:10.1103/PhysRevLett.116.068307

Zhang, W., Gomez, E. D., and Milner, S. T. “Surface-Induced Chain Alignment of Semiflexible Polymers” Macromolecules 49, no. 3 (2016): 963–971. doi:10.1021/acs.macromol.5b02173

Zhang, W., Gomez, E. D., and Milner, S. T. “Using Surface-Induced Ordering to Probe the Isotropic-to-Nematic Transition for Semiflexible Polymers” Soft Matter 12, no. 28 (2016): 6141–6147. doi:10.1039/c6sm01258b

Zhou, Y. and Milner, S. T. “Static Lengths in Glass-Forming Monodisperse Hard-Sphere Fluids From Periodic Array Pinning” Soft Matter 12, no. 2 (2016): 402–407. doi:10.1039/C5SM02011E

Zhou, Y. and Milner, S. T. “Structural Entropy of Glassy Systems From Graph Isomorphism” Soft Matter 12, no. 35 (2016): 7281–7288. doi:10.1039/C6SM01355D

2015

Zhang, W., Gomez, E. D., and Milner, S. T. “Predicting Nematic Phases of Semiflexible Polymers” Macromolecules 48, no. 5 (2015): 1454–1462. doi:10.1021/acs.macromol.5b00013

Cao, J., Qin, J., and Milner, S. T. “Finding Entanglement Points in Simulated Polymer Melts” Macromolecules 48, no. 1 (2015): 99–110. doi:10.1021/ma5010315

Chen, Q., Sirota, E. B., Zhang, M., Chung, T. C. M., and Milner, S. T. “Free Surfaces Overcome Superheating in Simulated Melting of Isotactic Polypropylene” Macromolecules 48, no. 24 (2015): 8885–8896. doi:10.1021/acs.macromol.5b02030

Hamad, F. G., Colby, R. H., and Milner, S. T. “’Lifetime of Flow-Induced Precursors in Isotactic Polypropylene” Macromolecules 48, no. 19 (2015): 7286–7299. doi:10.1021/acs.macromol.5b01408

Hamad, F. G., Colby, R. H., and Milner, S. T. “Onset of Flow-Induced Crystallization Kinetics of Highly Isotactic Polypropylene” Macromolecules 48, no. 11 (2015): 3725–3738. doi:10.1021/acs.macromol.5b00386

Tito, N. B., Milner, S. T., and Lipson, J. E. G. “Enhanced Diffusion and Mobile Fronts in a Simple Lattice Model of Glass-Forming Liquids” Soft Matter 11, no. 39 (2015): 7792–7801. doi:10.1039/C5SM01701G

Zhou, Y. and Milner, S. T. “T1 Process and Dynamics in Glass-Forming Hard-Sphere Liquids” Soft Matter 11, no. 13 (2015): 2700–2705. doi:10.1039/C4SM02459A

2014

Howard, M. P. and Milner, S. T. “Self-Consistent Real Space Free Energy Calculations for Polyethylene and Isotactic Polypropylene Crystals and Interfaces” Macromolecules 47, no. 23 (2014): 8335–8350. doi:10.1021/ma501906n

Li, Z., Yuan, F., Fichthorn, K. A., Milner, S. T., and Larson, R. G. “Molecular View of Polymer/Water Interfaces in Latex Paint” Macromolecules 47, no. 18 (2014): 6441–6452. doi:10.1021/ma500866f

Zhang, W., Gomez, E. D., and Milner, S. T. “Predicting Chain Dimensions of Semiflexible Polymers From Dihedral Potentials” Macromolecules 47, no. 18 (2014): 6453–6461. doi:10.1021/ma500923r

Qin, J. and Milner, S. T. “Tubes, Topology, and Polymer Entanglement” Macromolecules 47, no. 17 (2014): 6077–6085. doi:10.1021/ma500755p

Cao, J., Qin, J., and Milner, S. T. “Simulating Constraint Release by Watching a Ring Cross Itself” Macromolecules 47, no. 7 (2014): 2479–2486. doi:10.1021/ma500325z

Cao, J. and Milner, S. T. “Dynamics of Correlated Forces in Lattice Model of Granular Solids Near Jamming ” Soft Matter 10, no. 1 (2014): 96–108. doi:10.1039/C3SM51276B

Lu, K., Rudzinski, J. F., Noid, W. G., Milner, S. T., and Maranas, J. K. “Scaling Behavior and Local Structure of Ion Aggregates in Single-Ion Conductors” Soft Matter 10, no. 7 (2014): 978–989. doi:10.1039/C3SM52671B

2013

Howard, M. P. and Milner, S. T. “A Simple Model for Heterogeneous Nucleation of Isotactic Polypropylene” Macromolecules 46, no. 16 (2013): 6593–6599. doi:10.1021/ma400702q

Howard, M. P. and Milner, S. T. “Calculated Interfacial Free Energies and Hetrogeneous Nucleation of Isotactic Polypropylene” Macromolecules 46, no. 16 (2013): 6600–6612. doi:10.1021/ma400703m

Zhang, M., Colby, R. H., Milner, S. T., Chung, T. C. M., Huang, T., and deGroot, W. “Synthesis and Characterization of Maleic Anhydride Grafted Polypropylene with a Well-Defined Molecular Structure” Macromolecules 46, no. 11 (2013): 4313–4323. doi:10.1021/ma4006632

Newhall, J., Cao, J., and Milner, S. T. “Lattice Model of Correlated Forces in Granular Solids Near Jamming” Physical Review E 87, no. 5 (2013): 052203. doi:10.1103/PhysRevE.87.052203

Qin, J. and Milner, S. T. “Tube Diameter of Oriented and Stretched Polymer Melts” Macromolecules 46, no. 4 (2013): 1659–1672. doi:10.1021/ma302095k

Tito, N. B., Lipson, J., and Milner, S. T. “Lattice Model of Dynamic Heterogeneity and Kinetic Arrest in Glass-Forming Liquids – Soft Matter (RSC Publishing) DOI:10.1039/C3SM25679K” Soft Matter (2013):

Tito, N. B., Lipson, J. E. G., and Milner, S. T. “Lattice Model of Mobility at Interfaces: Free Surfaces, Substrates, and Bilayers” Soft Matter 9, no. 39 (2013): 9403. doi:10.1039/c3sm51287h

2012

Shen, H., Hricko, P. J., Colina, C. M., and Milner, S. T. “Chiral Elasticity of DNA” Soft Matter 8, no. 39 (2012): 10090–10094. doi:10.1039/C2SM26123E

Qin, J., Milner, S. T., Stephanou, P. S., and Mavrantzas, V. G. “Effects of Tube Persistence Length on Dynamics of Mildly Entangled Polymers” Journal of Rheology 56, no. 4 (2012): 707–723.

Qin, J., So, J., and Milner, S. T. “Tube Diameter of Stretched and Compressed Permanently Entangled Polymers ” Macromolecules 45, (2012): 9816–9822.

Tito, N. B., Milner, S. T., and Lipson, J. “Ball-of-Yarn Conformation of a Linear Gradient Copolymer in a Homopolymer Melt – Macromolecules (ACS Publications)” Macromolecules (2012):

2011

Bisbee, W., Qin, J., and Milner, S. T. “Finding the Tube with Isoconfigurational Averaging” Macromolecules 44, no. 22 (2011): 8972–8980. doi:10.1021/ma2012333

Howard, M. P. and Milner, S. T. “Numerical Simulation Methods for the Rouse Model in Flow” Physical Review E 84, no. 5 (2011): 051804. doi:10.1103/PhysRevE.84.051804

Milner, S. T. “Polymer Crystal–Melt Interfaces and Nucleation in Polyethylene” Soft Matter 7, no. 6 (2011): 2909–2917. doi:10.1039/c0sm00070a

Milner, S. T. and Wentzel, N. “Twist Solitons in Ordered Phases of N-Alkanes” Soft Matter 7, no. 16 (2011): 7477–7492. doi:10.1039/c1sm05326d

Qin, J. and Milner, S. T. “Counting Polymer Knots to Find the Entanglement Length” Soft Matter 7, no. 22 (2011): 10676–10693. doi:10.1039/c1sm05972f

Wentzel, N. and Milner, S. T. “Simulation of Multiple Ordered Phases in C-23 N-Alkane” Journal Of Chemical Physics 134, no. 22 (2011): 224504. doi:10.1063/1.3589417