Development and Application of Advanced Multireference Methodologies for the Study of Molecular Systems in Complex Environments

Research support in the development and application of advanced multireference theoretical and computational methodologies for the investigation of correlated molecular systems. The activities will include the use of Density Matrix Renormalization Group (DMRG) methods and Quantum Monte Carlo (QMC) techniques to describe both static and dynamic electron correlation, as well as the application of these methodologies within QM/MM approaches for the simulation of molecular systems in complex environments. Additional responsibilities will include the analysis of computational results, the validation of computational protocols, and support for the scientific activities of the research group.