Presentation




Our research group focuses in the development and application of computational techniques and tools for the treatment of scientific and technological problems. At present, we deal with the computational modelling of complex social, biological or technological networks, their evolution, communities structure, and use in data analysis. The group develops its activities in the Escuela Superior de Informática of the Universidad de Castilla-La Mancha.


Along the years, our group has tackled different kinds of scientific and technological problems. As some examples we have:

- The design of a general API for the description of complex networks in arbitrary computational environments.

- The parallel treatment of the eigenproblem in symmetric and hermitian matrices using an object-oriented approach.

- The metaheuristic, simulated annealing based, computation of molecule-fixed axes orientation in rovibrational molecular Hamiltonians.

- The computation of arbitrarily accurate numerical derivatives.

- The adaptive scheduling of parameter sweep experiments on Grids of computers.

- The simulation of the molecular docking process of aminopiridynes in the K+ channel.

- The accurate computational prediction of the pKa of aminopyridines.

- The simulation of the conformational population distribution of nicotinic analgesics.

- The simulation of the fine vibrational structure of phosphorescence and fluorescence molecular spectra.




Network Science Centers

Network analysis tools