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

Maxime Pouvreau; Andrey G. Kalinichev

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 metadatas

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

Identifiers

Collections

Citation

Export

Metrics

118

Contact

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

Identifiers

Collections

Citation

Export

Share

Metrics

118

Contact