Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials

Sana Bougueroua*, A.A. Kolganov, Chloe Helain, Coralie Zens, Dominique Barth, E.A. Pidko, Marie Pierre Gaigeot

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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Engineering

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Chemistry

Chemical Engineering

Material Science