May 8-11, 2017

Speaker Details

Christian Negre

PhD in Computational Chemistry at University of Cordoba developing codes to apply Quantum Dynamics techniques to: Optical Properties of Metallic Nanoparticles, Near Field Enhancement in Metallic Nanoparticles, Absorption Spectrum of organic molecules, and Interfacial Electron and Energy transfer between molecules and Semiconductor Nanoparticles. Development of computational codes based on Non-Equilibrium Green Function (NEGF) techniques to study the Electron Transport Properties of single molecules. Three years of Postdoctoral experience at Yale University, Chemistry Department studying: Water Splinting Catalysts, Interfacial Electron transfer in Dye-TiO2 systems, Molecular Refinement of the Oxidation state of the Oxygen-evolving complex, Community Network Analysis applied to Allosteric effects in proteins, Molecular Rectifiers (diodes) applied to Dye Sensitized Solar Cells. Now working at Los Alamos National Laboratory developing methods to accelerate Quantum Molecular Dynamics simulations based of tight-binding electronic structure methods.