Partner 3.Universidad Politécnica de Madrid (Spain)

The Instituto de Energía Solar (IES) of the UPM has wide experience in participating and coordinating EC projects in various fields of PV research. The IES-UPM integrates 6 Research Groups of which the Quantum Calculation Group is one. The leader of the UPM Quantum Calculation group is also the head of Quantum Calculation Group for Solar Cells Materials Perla Wahnón, Professor at the School of Telecommunication Engineering of the UPM. She is also a Research Director of 20 national and international research programs.

The UPM team is proficient in accurate quantum mechanical calculations and has strong experience in computing the electronic structure, structural parameters, optoelectronic properties and thermodynamic viability of different kinds of semiconducting compounds, pure or doped with transition metals. Its activities in the project will be focused on ab-initio optimization of crystalline and electronic structures, quantum characterization of optical and optoelectronic properties and calculation of defect energies and thermodynamic stabilities of the compounds investigated, providing visiting scientists with opportunities to develop the knowledge of theoretical work critical for the project, specifically in WP5, WP6 and WP11.

Expertise and human resources: The Quantum Calculations Group of the UPM involved in PV research comprises one professor (Dr. Perla Wahnon), one full time associate professor and at present two postdoctoral researchers and two predoctoral fellows. Research expertise in the past on Molecular Dynamics and Quantum Mechanic calculations of Electronic Structures, at present is well-known in the field of accurate quantum mechanical calculations of materials and has strong experience on calculation electronic structures, structural parameters, optoelectronic properties and thermodynamic viability of different kinds of semiconductors compound, pure or doped with transition metals. Its activities in the project will be focused on ab-initio optimization of structural and electronic structures, quantum characterization of optical and optoelectronic properties and calculation of defect energies and thermodynamic stabilities of chalcopyrites and other sulphides compounds.