Services

Research

Here you can find out something about our research activities

We are mainly focused to the application of nanomaterials in the environmental protection and to the investigation of various materials, molecules and ionic liquids applying modern computational approaches. Although scientists very frequently focus to either theory or experiment, we tend to focus to both aspects of science. Therefore, our research papers frequently contain both experimental and theoretical results. Nevertheless, in our house 🙂 Sanja is more inspired by experiment, while Stevan favors theory. We have to be honest, it is really interesting when you have experimental chemist and theoretical physicist working together (in marriage).

First steps

Our first joint research activities included computational investigation via DFT calculations of reactive properties of selected betablockers. Prior to this, Sanja was involved in photocatalytic degradation of these molecules applying nanomaterials, while Stevan was working in the area of application of Green’s functions for investigation of transport properties of nanomaterials with particular interest in organic nanomaterials. Thanks to one conference held in Belgrade, we got introduced with the magnificent world of molecular modeling. Since we were both somehow dealing wit molecules, we decided to start working together and that resulted in our first joint paper published in Journal of Molecular Modeling (Springer).

Computational study of pharmaceutical molecules

Thanks to our initial joint research steps, computational investigation of structural, reactive, spectroscopic and docking properties of various pharmaceutical properties remained one of the most important research areas for us. We have investigated organic pharmaceutical molecules with demonstrated biological activities, and also newly synthesized organic molecules whose pharmaceutical potential is still being performed.

In these regards, we have applied practically all relevant levels of theory, including DFT, MP2 and SAPT calculations, molecular dynamics (MD) simulations and molecular docking

Why Outdoor Adventure

Lorem ipsum dolor sit amet, consectetur adipiscing elit. Ut elit tellus, luctus nec ullamcorper mattis, pulvinar dapibus leo.

What You Get

Lorem ipsum dolor sit amet, consectetur adipiscing elit. Ut elit tellus, luctus nec ullamcorper mattis, pulvinar dapibus leo.

This Can Be Secondary Heading

Laboris molestias, vivamus numquam orci possimus ac illum quos natus, consectetur lorem.

Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore.