› Computational design of molecular systems for nano-thermoelectric applications - Karine Costuas, Institut des Sciences Chimiques de Rennes
10:30-11:15 (45min)
› Emergence of Spinmerism from Model Hamiltonian View - Pablo Roseiro, Laboratoire de Chimie Quantique, UMR 7177
11:15-11:35 (20min)
› Quantum embedding by means of the Block-Householder transformation - sajanthan sekaran, Laboratoire de Chimie quantique
11:35-11:55 (20min)
› Local potential functional embedding theory: On the way from lattice models to quantum chemistry - Martin Rafael Gulin, Laboratoire de Chimie Quantique
11:55-12:15 (20min)
› Representation of a molecular-electronic transition: reduced-density-matrix theory meets matrix perturbation theory - Thibaud Etienne, Laboratoire de physique et de chimie théoriques
12:15-12:35 (20min)
› Strain and support effect on \gamma-Fe2O3 (111) - Amit Sahu, Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] - Celine Dupont, Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon]
14:00-14:20 (20min)
› Cracking of alkenes catalyzed by zeolites: from ab initio molecular dynamics to machine learning perturbation theory - Jérôme Rey, LPCT
14:20-14:40 (20min)
› Quantum dynamics of the two dimensional diffusion of adsorbates on metallic surfaces. - Oussama Bindech, Laboratoire de Chimie Quantique
14:40-15:00 (20min)
› Catalytic upgrading of biomass using metallic clusters supported on amorphous silica surfaces -
15:00-15:20 (20min)
› Synthèse et analyse de nouveaux récepteurs pour la reconnaissance ionique -
15:20-15:40 (20min)
› Ortho-métallation de s-aryltétrazine par activation de liaisons C–H : étude mêlant théorie et expériences -
15:40-16:00 (20min)
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