Juan Manuel Andrés Bort | Universitat Jaume I de Castellón - Espanha

• Processo: 09/54740-0
• Linha de fomento: Auxílio à Pesquisa - Pesquisador Visitante - Internacional
• Vigência: 01 de março de 2010 - 28 de fevereiro de 2011
• Área do conhecimento: Ciências Exatas e da Terra - Física - Física da Matéria Condensada
• Pesquisador responsável: Elson Longo da Silva
• Beneficiário: Elson Longo da Silva
• Pesquisador visitante: Juan Manuel Andrés Bort
• Inst. do pesquisador visitante: Universitat Jaume I, Espanha
• Instituição-sede: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brasil
• Vinculado ao auxílio: 98/14324-0 - Multidisciplinary Center for Development of Ceramic Materials, AP.CEPID
• Assunto(s): Materiais não metálicos Mecânica quântica

Resumo

This project is devoted to the computational description of structure, nucleation and growth processes as well as chemical processes taking place at complex systems in materials science. For this purpose, new concepts, theories, mathematical algorithms and computational protocols will be developed, implemented and used. Advances in modelling of potential energy surfaces, in statistical sampling, as well as in molecular dynamics will be required and this new knowledge will be exploited in designing new materials with such properties that can be used in nanotechnology. One of the most remarkable successes of the present project will be to demonstrate that the improvements, developments of the methods and techniques of TCC, are now mature enough to model chemical and physical properties with good accuracy. (AU)