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Computational Materials Research

In materials research computational approach is complementary with experimental and theoretical approaches sharing features with both of them. In the computational approach the key role is played by the mathematical model describing the system at different length and time scales, i.e. at scales of microscopic (sub-atomic and atomic), mesoscopic and macroscopic events. These models are solved either analytically (if possible) or numerically, or by using deterministic or stochastic computer simulation methods.

At present computational materials research focuses on atomic level structure and growth of materials, on biophysics and soft materials, on semiconductor optics, on physics of future information technologies, microelectromechanical systems, and medical radiodosiometry modelling.