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equation of state

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4 results in Keywords: equation of state

Materials Science

A New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Matthew Kroonblawd, Paul Lafourcade, Laurence Fried, Jean-Bernard Maillet, Tommy Sewell

Version 1 posted 13 December 2023

162

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Theoretical and Computational Chemistry

High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane

Mostafa Abedi, Jörg Behler, C. Franklin Goldsmith

Version 1 posted 17 May 2023

377

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Physical Chemistry

Stability and Metastability of Liquid water in a Machine-learned Coarse-grained Model with Short-range Interactions

Debdas Dhabal, Subramanian Sankaranarayanan, Valeria Molinero

Version 2 posted 03 November 2022

850

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Chemical Engineering and Industrial Chemistry

On the continuous modeling of fluid and solid states

Gustavo Chaparro, Erich A. Müller

Version 2 posted 28 May 2024

318

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