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Petroleum exploration and production; Materials for Nuclear fuels and system design; Nuclear safety and security; Materials for solar energy conversion and storage; Catalysis and reaction engineering for energy applications; Combustion; Multifunctional materials for energy applications; Separation technologies for energy applications (e.g., CO2 capture, utilization, storage); Materials for separations in energy applications; Electric power generation and storage; Fuel cells technologies and materials; Technologies for energy storage: Batteries; Modeling, simulation and optimization of energy systems

Developing applications and procedures for the use of ab initio, semi-empirical and molecular dynamics techniques in a multiscale approach to solve problems related to energy applications. Especial emphasis is in the analysis of interfaces where electron transport is a key indicator of the behavior of the interfaces in nanosensors, nanoelectronic devices and nanocatalysts. Applications of time dependent problems of interest for electron transfer and excited states of atoms, molecules and interfaces as well to problems that require the use of discrete energy wavefunctions mixed with continuum spectrum energies wavefunctions (solid state). Also experiments related to electron transport properties of nanomaterials and micromaterials.