Publications by authors named "Scott T Milner"

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Calculating Nonbonded Potentials for Classical Simulations of Atoms in Molecules and Metal Surfaces.
Scott T Milner

J Chem Theory Comput· October 2025

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Effective Ion Exclusion Requires Hydration Shell Stripping.
Ritwick Kali, Scott T Milner

J Phys Chem B· September 2025

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Reconciling Chain Orientation in Polymer-Grafted Nanoparticles between Coarse-Grained Models and Resonant Soft X-ray Scattering.
Subhrangsu Mukherjee, Nicholas T Liesen, Scott T Milner, Lisa M Hall, Dean M DeLongchamp

ACS Nano· April 2025

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Tuning partial charges of alkyl alcohols to improve simulated fluid properties.
Elizabeth Long, Bolton Tran, Scott T Milner

J Chem Phys· April 2025

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Efficient simulations of mobility matrices for electrolytes by applying forces.
Pramudit Tripathi, Scott T Milner

Chem Sci· September 2024

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Crystalline and Amorphous Interface Simulations of Donor-Acceptor Blends.
Puja Agarwala, Enrique D Gomez, Scott T Milner

J Chem Theory Comput· August 2024

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Tight-binding model predicts exciton energetics and structure for photovoltaic molecules.
Vishal Jindal, Mohammed K R Aldahdooh, Enrique D Gomez, Michael J Janik, Scott T Milner

Phys Chem Chem Phys· May 2024

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Tuning polymer-backbone coplanarity and conformational order to achieve high-performance printed all-polymer solar cells.
Yilei Wu, Yue Yuan, Diego Sorbelli, Christina Cheng, Lukas Michalek, Scott T Milner

Nat Commun· March 2024

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Backbone and Side Group Interchain Correlations Govern Wide-Angle X-ray Scattering of Poly(3-hexylthiophene).
Puja Agarwala, Shreya Shetty, Abigail M Fenton, Burcu Dursun, Scott T Milner

ACS Macro Lett· March 2024

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Negative Dielectric Constant of Water at a Metal Interface.
Bolton Tran, Yuxing Zhou, Michael J Janik, Scott T Milner

Phys Rev Lett· December 2023

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Fast, Faithful Simulations of Donor-Acceptor Interface Morphology.
Puja Agarwala, Enrique D Gomez, Scott T Milner

J Chem Theory Comput· November 2022

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Hydrogen Bond Thermodynamics in Aqueous Acid Solutions: A Combined DFT and Classical Force-Field Approach.
Bolton Tran, Yusheng Cai, Michael J Janik, Scott T Milner

J Phys Chem A· October 2022

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Pulling simulation predicts mixing free energy for binary mixtures.
Wezi D Mkandawire, Scott T Milner

Soft Matter· October 2022

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A simple simulation model for complex coacervates.
Sai Vineeth Bobbili, Scott T Milner

Soft Matter· October 2021

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Using osmotic pressure simulations to test potentials for ions.
Colin Gillespie, Scott T Milner

Soft Matter· November 2020

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Tight binding models accurately predict band structures for copolymer semiconductors.
Prithvi Tipirneni, Vishal Jindal, Michael J Janik, Scott T Milner

Phys Chem Chem Phys· September 2020

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Polaron hopping barriers and rates in semiconducting polymers.
Joel H Bombile, Shreya Shetty, Michael J Janik, Scott T Milner

Phys Chem Chem Phys· February 2020

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Thermal Fluctuations Lead to Cumulative Disorder and Enhance Charge Transport in Conjugated Polymers.
Wenlin Zhang, Joel H Bombile, Albree R Weisen, Renxuan Xie, Ralph H Colby, Scott T Milner

Macromol Rapid Commun· August 2019

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Energetics of exciton binding and dissociation in polythiophenes: a tight binding approach.
Joel H Bombile, Michael J Janik, Scott T Milner

Phys Chem Chem Phys· June 2019

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Anisotropic Growth of Silver Nanoparticles Is Kinetically Controlled by Polyvinylpyrrolidone Binding.
Zhifeng Chen, Ji Woong Chang, Choumini Balasanthiran, Scott T Milner, Robert M Rioux

J Am Chem Soc· March 2019

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A geometrical criterion for glass transition in soft-sphere fluids.
Yuxing Zhou, Scott T Milner

Soft Matter· August 2018

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Nematic Order Imposes Molecular Weight Effect on Charge Transport in Conjugated Polymers.
Wenlin Zhang, Scott T Milner, Enrique D Gomez

ACS Cent Sci· March 2018

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Polaron formation mechanisms in conjugated polymers.
Joel H Bombile, Michael J Janik, Scott T Milner

Phys Chem Chem Phys· December 2017

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Predicting Flory-Huggins χ from Simulations.
Wenlin Zhang, Enrique D Gomez, Scott T Milner

Phys Rev Lett· July 2017

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Extended Ensemble Approach to Transferable Potentials for Low-Resolution Coarse-Grained Models of Ionomers.
Joseph F Rudzinski, Keran Lu, Scott T Milner, Janna K Maranas, William G Noid

J Chem Theory Comput· May 2017

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