Loading...
Publications récentes
-
Mohamed Ali Khaled, Leonardo Cancellara, Salima Fekraoui, Richard Daubriac, François Bertran, et al.. Large-Scale Epitaxial Integration of Single-Crystalline BiSb Topological Insulator on GaAs (111)A. ACS Applied Electronic Materials, 2024, 6 (5), pp.3771-3779. ⟨10.1021/acsaelm.4c00400⟩. ⟨hal-04584442⟩
-
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. Journal of Chemical Information and Modeling, 2024, 64 (8), pp.3290-3301. ⟨10.1021/acs.jcim.3c01981⟩. ⟨hal-04517230⟩
-
William Margerit, Antoine Charpentier, Cathy Maugis-Rabusseau, Johann Christian Schön, Nathalie Tarrat, et al.. IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules. Algorithms, 2023, 16 (10), pp.476. ⟨10.3390/a16100476⟩. ⟨hal-04247201⟩
-
Juan Esteban Montoya Cardona, Antoine Salichon, Nathalie Tarrat, Emilie Gaudry, David Loffreda. Structural, Ordering and Magnetic Properties of PtNi Nanoalloys Explored by Density Functional Theory and Stability Descriptors. Journal of Physical Chemistry C, 2023, 127 (36), pp.18043-18057. ⟨10.1021/acs.jpcc.3c03541⟩. ⟨hal-04245124⟩