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São Paulo Advanced School on Computational Materials Science for Energy and Environmental Applications | Santo André – SP

Abstract

The Abdus Salam International Centre for Theoretical Physics is organizing in collaboration with the Fundação de Amparo à Pesquisa do Estado de São Paulo, Brazil (FAPESP), the Universidade Federal do ABC (UFABC), the CNR-IOM Democritos Simulation Center, Trieste, and the Academy of Sciences for the Developing World (TWAS) Advanced School on Computational Materials Science for Energy and Environmental Applications to be held in Santo André, Brazil from 5 to 16 September 2011. The Advanced School on Computational Materials Science for Energy and Environmental Applications grouped researchers from several countries who provided an overview on the advanced computational methods to address the problem of materials for energy and environmental applications. The School provided an overview on topics such as functional development and modeling dispersion forces; electrical and thermal transport; large scale DFT and TDDFT; inter-atomic potentials development; integrated and multi-scale modeling; theoretical spectroscopy; ab-initio thermodynamics; catalysis and materials for energy and environmental applications. The School included a series of advanced talks covering the latest developments as well as a series of hands-on tutorials based on public license computer codes, high-performance computing and classical molecular dynamics and Monte Carlo codes. (AU)

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