Roman Fanta, Ph.D. student supervised by Matúš Dubecký, defended his dissertation thesis, Congratulations!!!

Topic: Fixed-node diffusion Monte Carlo for noncovalent interactions. Abstract: The omnipresence of noncovalent interactions in numerous physical, chemical, and biological phenomena necessitates accurate modeling of such interactions, which is not an easy task due to their complex quantum mechanical properties and the intricate interplay between different interaction types. The fixed-node diffusion Monte Carlo (FNDMC) many-body…