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

Maxime Pouvreau; Andrey G. Kalinichev

Conference papers

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

Document type :

Conference papers

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Sciences of the Universe [physics] / Earth Sciences / Mineralogy

Engineering Sciences [physics] / Materials

Engineering Sciences [physics] / Reactive fluid environment

Complete list of metadata

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

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

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

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