Computational Chemistry is an intrinsically interdisciplinary field, because it applies to all areas of chemistry, but also to topics at the frontiers between chemistry and physics, chemistry and biology and chemistry and material science. In order to provide a balanced offer in this field, it is essential to federate the efforts of several institutions, because a single one cannot cover even a minimum part of the potential applications of this discipline.
The composition of the TCCM-JD Consortium was carefully thought out in order to include a wide range of applications, and, simultaneously, to ensure that the doctoral candidates will find, within the consortium, at least two Institutions in which to carry out their research activity. In all the Institutions involved there are several teams that work actively in different research lines, and accordingly, as illustrated in the diagram of the figure below, each of the partners of the Consortium has common research lines with a number of other partners.
For the sake of clarity, the diagram below has been restricted to the three most prominent research lines of each partner, but in most of the Institutions there are more than three active research lines:
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Methodology Developments (MD)
Electronic structure, molecular dynamics, algorithm developments….
Toulouse, Perugia, Groningen, Valencia, Pisa, País Vasco, Bonn, Stuttgart (Paris VI, Wien)
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Modelization of Biological Systems (MBS)
Proteomics, enzymes, enzymatic catalysis…
Valencia, Paris VI, País Vasco, Bonn, Wien, Stockholm, Barcelona (Madrid)
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Excited States (ES)
Photophysics, photochemistry, lasers, light induced processes, strong fields….
Madrid, Toulouse, Perugia, Leuven, Groningen, Valencia, Pisa, Wien, Stuttgart (Stockholm)
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Surface Interaction (SI)
Reactivity, heterogeneous catalysis, ion collisions…
Paris VI, Bonn, Wien, Stockholm, Barcelona (Groningen, Madrid, Toulouse)
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Potential Energy Surfaces (PES)
Reactivity, homogeneous catalysis, astrophysics, ion chemistry in the gas phase…
Madrid, Perugia, Leuven, Paris VI, Barcelona, Stuttgart (Valencia, Wien)
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Funtional Materials & NanoScience (FM&NS)
Polyaromatic hydrocarbons, polyoxometallates, fullerenes, nanotubes, nanoclusters, molecular magnetism, photoluminescence, quantum dots…
Madrid, Toulouse, Leuven, Groningen, Pisa, Stockholm, UPV/EHU (Perugia, Valencia, Paris VI, Bonn, Wien, Barcelona, Stuttgart)
Also importantly, although the research lines may be common, the specific topics have distinctive characteristics, which will enable us to offer complementary viewpoints on a specific research project.
