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6 results in Keywords: glass transition temperature

Theoretical and Computational Chemistry

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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Theoretical and Computational Chemistry

How to Determine Glass Transition Temperature of Polymer Electrolytes from Molecular Dynamics Simulations

HARISH GUDLA, Chao Zhang

Version 1 posted 13 August 2024

148

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Polymer Science

Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning

Didac Martí, Rémi Pétuya, Emanuele Bosoni, Anne-Claude Dublanchet, Stephan Mohr, Fabien Léonforte

Version 1 posted 13 December 2023

544

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Polymer Science

Benchmarking Study of Deep Generative Models for Inverse Polymer Design

Tianle Yue, Lei Tao, Vikas Varshney, Ying Li

Version 1 posted 18 March 2024

541

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2

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Physical Chemistry

Unveiling polyamorphism and polyamorphic interconversions in pharmaceuticals: the peculiar case of hydrochlorothiazide

Inês C. B Martins, Anders S. Larsen, Anders Ø. Madsen, Olivia Aalling Frederiksen, Kirsten M. Ø. Jensen, Henrik S. Jeppesen, Thomas Rades

Version 1 posted 08 June 2023

313

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Polymer Science

Side Chain Dispersity Matters: Topologically Precise and Discrete Bottlebrush Polymers

Nduka Ogbonna, Michael Dearman, Cheng-Ta Cho, Bhuvnesh Bharti, Andrew J. Peters, Jimmy Lawrence

Version 1 posted 16 December 2021

373

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