Structure prediction of nanoclusters from global optimization techniques: Computational strategies and connection to experiments

Philippe Carbonnière (1) , Michel Rérat (1) , Fernand Spiegelman (2) , Ajit J. Thakkar (3)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux
2 MAD - Modélisation, Agrégats, Dynamique (LCPQ)
3 UNB - University of New Brunswick

Mots clés: Clusters

Domaines: Chimie théorique et/ou physique

Philippe Carbonnière, Michel Rérat, Fernand Spiegelman, Ajit J. Thakkar. Structure prediction of nanoclusters from global optimization techniques: Computational strategies and connection to experiments. Computational and Theoretical Chemistry, 2017, 1107, pp.1. ⟨10.1016/j.comptc.2017.03.007⟩. ⟨hal-01529270⟩