Force field parameterization for accurate molecular modeling of clay edges in classical MD simulations

Maxime Pouvreau 1 Andrey G. Kalinichev 2
1 SUBATECH - Laboratoire SUBATECH Nantes
2 SUBATECH - Radiochimie
SUBATECH - Laboratoire SUBATECH Nantes
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Conference papers
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http://hal.in2p3.fr/in2p3-01577741
Contributor : Andrey Kalinichev <>
Submitted on : Monday, August 28, 2017 - 12:48:53 AM
Last modification on : Friday, June 7, 2019 - 6:10:03 PM

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  • HAL Id : in2p3-01577741, version 1

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IN2P3 | CNRS | UNIV-NANTES | SUBATECH | IMT-ATLANTIQUE | SUBATECH-RADIOCHIMIE

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Maxime Pouvreau, Andrey G. Kalinichev. Force field parameterization for accurate molecular modeling of clay edges in classical MD simulations. 16th International Clay Conference, AIPEA, Jul 2017, Granada, Spain. ⟨in2p3-01577741⟩

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