Mathias Rapacioli

Publication Activity (10 Years)

Years Active: 2014-2024
Publications (10 Years): 2

Top Topics

Experimental Evaluation

Computational Cost

Detection Algorithm

Top Venues

J. Chem. Inf. Model.

Publications

Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortés, Mathias Rapacioli
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. J. Chem. Inf. Model. 64 (8) (2024)
Mathias Rapacioli, Nathalie Tarrat
Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene. Comput. 10 (3) (2022)
Anthony Scemama, Nicolas Renon, Mathias Rapacioli
A Sparse SCF algorithm and its parallel implementation: Application to DFTB. CoRR (2014)