Assist. Prof. Dr. Layla Martin-samos Col

Biography

Education and Professional Qualifications: 1993 Spanish Baccalaureate and International Baccalaureate at the Heidelberg Schule (Las Palmas de G.C., Spain), 1993-2001 Degree in Physics in the Valencia University (Spain), 2001 Experimental Stage: “study of visco-elasticity in a liquid crystal (C12EO6)”. Laboratoire de Physique du Solide (France). Supervisor: P.Pieranski, 2001-2004 PhD in material science: “First-principles study on self-defects and self-diffusion in a silica glass”. Université de Cergy-Pontoise in collaboration with CEA-Saclay/Service de Recherche de Métallurgie Physique (France). Mark: très honorable avec felicitations du jury. Supervisors: M. Héritier and Y. Limoge.

Research Interest

umerical simulation in material science: empirical potential molecular dynamics, saddle point search (Nudged Elastic Band method), ground-states first-principles calculations within DFT (plane waves and localized atomic orbitals), electronic excitations GW and Bethe-Salpeter Equation. Diffusion in glasses: glass structure, energetic of point defects, saddle point search, diffusion models. Optical excitations on organic and in-organic semiconductors: quasi-particle band calculations, excitons within Bethe-Salpeter Equation. Material Modeling Software: SIESTA, Quantum ESPRESSO, SaX Software development: SaX, SaX is an open source project, born to give an accurate description of electronic and optical properties of solids, including one dimensional systems and surfaces. Quantum ESPRESSO, www.quantum-espresso.org, QE is an open source suite of codes for electronic structure calculations and materials modeling at the nanoscale.