Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. - Valentin Milia; Nathalie Tarrat; Christophe Zanon; Juan Cortés; Mathias Rapacioli (J. Chem. Inf. Model., 2024)

Coupling of quantum chemistry models and high-performance algorithms for the global exploration of the energy landscape of atomic and molecular systems. (Couplage de modèles de chimie quantique et d'algorithmes haute performance pour l'exploration globale du paysage énergétique de systèmes atomiques et moléculaires). - Valentin Milia (2024)