Our group focuses in the development and application of computational techniques and tools for the treatment of scientific and technological problems. The group develops its activities in the Escuela Superior de Informática of the Universidad de Castilla-La Mancha.

Scientific Computing can be defined as the application of computer technology to the study of scientific and technological problems. As such, it deals with the development of accurate mathematical (or physical-mathematical) models efficiently implemented, as operative tools, on current computers. To build such models, this discipline, on one hand, must deal with the field of study to which the problem considered belongs. On the other hand, it has a pure computational component dealing with the efficient "translation" of the models on current computer architectures. This usually implies the development of appropriate data structures and algorithms, and the use of parallel programming techniques. Therefore, Scientific Computing is a clear example of the power of the multidisciplinary approach to the proposal and solution of new problems. From the epistemological standpoint, Scientific Computing represents a third way in the scientific process, complementing the traditional observational/experimental and theoretical approaches. Computational chemistry, computational physics, bioinformatics or network science, just to name a few, are examples of the usefulness of Scientific Computing when applied to specific fields.

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

- 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.

At present, our interest is directed to the treatment of the complex networks associated to complex systems on multiprocessor environments.