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Car-Parrinello Molecular Dynamics

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2 results in Keywords: Car-Parrinello Molecular Dynamics

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Category: Theoretical and Computational Chemistry

Tuning the Dielectric Response in a Nanocomposite Material through Nanoparticle Morphology

, Authors: Archita Adluri, Brett Henderson, Irina Paci

Version 1 posted 20 September 2021

187

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Category: Theoretical and Computational Chemistry

The hole mass in Car-Parrinello molecular dynamics: insights into the dynamics of excitation

, Authors: Sherif Tawfik, Tiffany Walsh

Version 1 posted 21 November 2024

0

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ISSN 2573-2293 (Online) ChemRxiv Archive

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