Computational Chemistry and Physical Chemistry Research groups

Quantum chemistry and computer modeling have made a major impact on the chemist's way of thinking and working. They have enjoyed the benefits of the remarkable achievements in computer technology and have reached to a point where they can provide results with an accuracy approaching that of the experiments with the freedom to consider rare or even ‘impossible’ species and configurations which can hardly be accessible to experimental observation. Research in this line focuses into the development of new methodology, into the application of the methods to relevant chemical problems, and into the computational design and even synthesis of novel chemical entities that could have potential therapeutic applications.