New computational tools based on the DMRG (density matrix renormalisation group) method will be developed at the Institute of Physics of the Technical University of Lodz (PŁ) in collaboration with scientists from the Czech Academy of Sciences, as part of the OPUS LAP project funded by the National Science Centre and the Czech Science Foundation.

The project ‘Accurate and efficient computational methods based on the renormalisation group formalism of the DMRG density matrix for large molecules’ has received more than PLN 800,000 in funding for research, which will be led by Prof. Katarzyna Pernal from the Faculty of Technical Physics, Informatics and Applied Mathematics. The topic will be carried out in collaboration with Prof Libor Veis from the Czech Academy of Sciences.

The aim of the project is to develop and implement new computational tools based on DMRG, which are suitable for the extension of highly correlated molecules and their application to difficult problems such as the electronic structure of biologically relevant transition metal complexes.