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Schools

EMTCCM School on Theoretical Solid State Chemistry

May 25, 2015 to May 29, 2015
Location : CECAM-ES, University of Zaragoza, Spain

Organisers

  • Antonio Márquez (University of Seville, Spain)
  • Juan Manuel Recio (Universidad de Oviedo, Spain)
  • Miguel Moreno Mas (Universidad de Cantabria, Spain)
  • Wilson Rodriguez De Leon (Universidad Autonoma de Madrid, Spain)
  • Coen de Graaf (Univ. Rovira-Virgili, Spain)

Supports

   CECAM

Erasmus Mundus Master in Theoretical Chemistry and Computational Modelling

Description

The schooll will cover the fundamentals and the practical use of state-of-the-art codes for the calculation of the electronic structure of bulk solids, surfaces, and defects and impurities in solids. This include applications in thermodynamical properties, phase transitions, temperature and pressure effects, magnetic and spectroscopic properties, and surface properties including reactivity of and at surfaces. The influence of structural vacancies both in bulk and at surfaces will be addressed as an important topic influencing in a significant way the properties of different materials. The structure, properties and reactivity of nanoparticles will also be covered in a theoretical lecture.