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Theoretical and Computational Chemistry

Working Paper

Investigating 3,4-Bis(3-Nitrofurazan-4-Yl)furoxan Detonation with a Rapidly Tuned Density Functional Tight Binding Model

Rebecca Lindsey, Sorin Bastea, Nir Goldman, Laurence E. Fried

Version 1 posted 18 February 2021

357

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Theoretical and Computational Chemistry

Working Paper

Development of the ChIMES Force Field for Reactive Molecular Systems: Carbon Monoxide at Extreme Conditions

Rebecca Lindsey, Nir Goldman, Laurence E. Fried, Sorin Bastea

Version 2 posted 30 August 2019

813

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Theoretical and Computational Chemistry

Working Paper

Active Learning for Robust, High-Complexity Reactive Atomistic Simulations

Rebecca Lindsey, Laurence E. Fried, Nir Goldman, Sorin Bastea

Version 1 posted 16 July 2020

306

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Physical Chemistry

Working Paper

Shock-Induced Cooling in Liquid Nitrogen Revisited

Rebecca Lindsey, Sorin Bastea, Sebastien Hamel, Yanjun Lyu, Nir Goldman, Laurence Fried

Version 1 posted 17 January 2023

148

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Physical Chemistry

Working Paper

Chemistry-Mediated Ostwald Ripening in Carbon-Rich C/O Systems at Extreme Conditions

Rebecca Lindsey, Nir Goldman, Laurence Fried, Sorin Bastea

Version 2 posted 13 December 2021

255

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Theoretical and Computational Chemistry

Working Paper

Predicted Viscosity of Liquid HMX up to 40 GPa

Matthew Kroonblawd, Sorin Bastea, H. Keo Springer

Version 1 posted 03 March 2023

129

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Theoretical and Computational Chemistry

Working Paper

ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data

Rebecca Lindsey, Sorin Bastea, Sebastien Hamel, Yanjun Lyu, Nir Goldman, Vincenzo Lordi

Version 2 posted 26 March 2024

202

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Refine Search

7 results in Sorin Bastea in Authors: Sorin Bastea

Investigating 3,4-Bis(3-Nitrofurazan-4-Yl)furoxan Detonation with a Rapidly Tuned Density Functional Tight Binding Model

Development of the ChIMES Force Field for Reactive Molecular Systems: Carbon Monoxide at Extreme Conditions

Active Learning for Robust, High-Complexity Reactive Atomistic Simulations

Shock-Induced Cooling in Liquid Nitrogen Revisited

Chemistry-Mediated Ostwald Ripening in Carbon-Rich C/O Systems at Extreme Conditions

Predicted Viscosity of Liquid HMX up to 40 GPa

ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data

7 results in Authors: Sorin Bastea