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We train students to develop and manage multidisciplinar computational tools.
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Wide range of teaching activities.
The Computational Chemistry world at your feet.
Chemistry from a different point of view.

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Maintaining the European leadership in theoretical modelling requires the training of new experts who can develop and use computational techniques in a rapidly evolving field, going beyond the traditional electronic structure studies.

The objective of the ITN-EJD in Theoretical Chemistry and Computational Modelling (TCCM) is to prepare authentic research leaders, who should not only be able to develop and use multidisciplinary computational techniques (methods and software), but with solid communication skills, with many contacts established through the intensive relationship with the researchers of more than 12 European universities and also with external experts, with expertise in the use of different codes, with the capacity of carrying out a sound activity in a large number of interdisciplinary fields, but in a multi-scale domain, going from very small systems to very large ones, able to work in fundamental areas of Chemistry, Physics, Material Science, Nanoscience, and Biological Chemistry, with a good knowledge of the non-academic sector and therefore with capacity to address the demand of innovative pharmaceutical, computer and new-materials industries.

This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Curie Sklodowska-Curie grant agreement No.642294.


The Theoretical Chemistry and Computational Modeling doctorate program aims to prepare leading researchers with the capabilities to use and develop Theoretical Chemistry methods. These researchers will be able to work in key areas of chemistry, physics, material science, nanoscience y biochemistry. Moreover, we aim to train innovative personnel to work in the pharmaceutic, petrochemistry, computational and new materials industries.

The doctorate program has:

  • Positive verification in 2009
  • Indication of excellence in July 2011 (Reference MEE2011-0153), given by the Education Ministry of Spain with an average mark of 96/100
  • Quality award form the stablishment of the master. (Ref. MCD2003-00675)