Welcome!

The Arhangelskis group is based at the Faculty of Chemistry, University of Warsaw. Starting from 2019 we have been developing methods for computational design of organic and metal-organic crystalline materials. By combining ab initio crystal structure prediction (CSP) with property simulations, we are aiming to reduce our reliance on experimental screening in materials development. This serves dual purpose: making materials design cleaner, cheaper and faster, while also learning new things about structure-property relationships in crystalline solids.

Naturally, our computational work requires experimental validation, and we are well equipped for that. Being part of the Crystallochemistry Laboratory, we have access to a wide range of instruments for materials characterization, including state of the art X-ray diffraction facilities. To learn more about our research please look at our projects and publications. We are always looking for collaborations, please get in touch!