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Computational Method for Simulating Thermoset Polymer Curing and Prediction of Thermophysical Properties

Jeffrey Sanders, Carla E. Estridge, Matthew B Jackson, Thomas JL Mustard, Samuel J. Tucker, David J. Giesen, Stephen Christensen, Andrea Browning, Mathew D. Halls

Version 1 posted 11 June 2020

1,000

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2

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Agriculture and Food Chemistry

Working Paper

Characterizing Moisture Uptake and Plasticization Effects of Water on Amorphous Amylose Starch Models Using Molecular Dynamics Methods

Jeffrey Sanders, Mayank Misra, Thomas JL Mustard, David J. Giesen, Teng Zhang, John Shelley, Mathew D. Halls

Version 3 posted 03 July 2020

572

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Theoretical and Computational Chemistry

Working Paper

High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers

Mohammad Atif Faiz Afzal, Andrea Browning, Alexander Goldberg, Mathew D. Halls, Jacob L. Gavartin, Tsuguo Morisato, Thomas F. Hughes, David J. Giesen, Joseph E. Goose

Version 2 posted 04 December 2020

1,351

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Materials Science

Working Paper

Leveraging High-throughput Molecular Simulations and Machine Learning for Formulation Design

Alex K. Chew, Mohammad Atif Faiz Afzal, Zach Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand Chandrasekaran, Karl Leswing, Mathew D. Halls

Version 3 posted 11 November 2024

907

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Materials Science

Working Paper

Development of Scalable and Generalizable Machine Learned Force Field for Polymers

Shaswat Mohanty, James Stevenson, Andrea Browning, Leif Jacobson, Karl Leswing, Mathew Halls, Mohammad Atif Faiz Afzal

Version 2 posted 07 September 2023

1,020

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Chemical Engineering and Industrial Chemistry

Working Paper

Advancing Material Property Prediction: Using Physics-Informed Machine Learning Models for Viscosity

Alex K. Chew, Matthew Sender, Zachary Kaplan, Anand Chandrasekaran, Jackson Chief Elk, Andrea R. Browning, H. Shaun Kwak, Mathew D. Halls, Mohammad Atif Faiz Afzal

Version 2 posted 17 January 2024

1,372

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Biological and Medicinal Chemistry

Working Paper

Exploring the effects of wetting and free fatty acid deposition on an atomistic hair fiber surface model incorporating Keratin Associated Protein 5-1

Jeffrey Sanders, Benjamin J Coscia, Alexandr Fonari, Mayank Misra, Paulo G Mileo, David J Giesen, Andrea R Browning, Mathew D Halls

Version 1 posted 09 November 2022

308

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Polymer Science

Working Paper

Molecular-scale exploration of mechanical properties and interactions of poly(lactic acid) with cellulose and chitin

Paulo Mileo, Caroline Krauter, Jeffrey Sanders, Andrea Browning, Mathew Halls

Version 1 posted 06 September 2022

261

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Materials Science

Working Paper

High-dimensional neural network potential for liquid electrolyte simulations

Steven Dajnowicz, Garvit Agarwal, James Stevenson, Leif Jacobson, Farhad Ramezanghorbani, Karl Leswing, Richard Friesner, Mathew Halls, Robert Abel

Version 1 posted 19 May 2022

1,171

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Materials Science

Working Paper

Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations

Benjamin J. Coscia, John C. Shelley, Andrea R. Browning, Jeffrey M. Sanders, Robin Chaudret, Roger Rozot, Fabien Léonforte, Mathew D. Halls, Gustavo S. Luengo

Version 2 posted 14 October 2022

462

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10 results in Mathew Halls in Authors: Mathew Halls

Computational Method for Simulating Thermoset Polymer Curing and Prediction of Thermophysical Properties

Characterizing Moisture Uptake and Plasticization Effects of Water on Amorphous Amylose Starch Models Using Molecular Dynamics Methods

High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers

Leveraging High-throughput Molecular Simulations and Machine Learning for Formulation Design

Development of Scalable and Generalizable Machine Learned Force Field for Polymers

Advancing Material Property Prediction: Using Physics-Informed Machine Learning Models for Viscosity

Exploring the effects of wetting and free fatty acid deposition on an atomistic hair fiber surface model incorporating Keratin Associated Protein 5-1

Molecular-scale exploration of mechanical properties and interactions of poly(lactic acid) with cellulose and chitin

High-dimensional neural network potential for liquid electrolyte simulations

Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations

10 results in Authors: Mathew Halls