DiStasio Research Group



Research in the DiStasio group focuses on the development, implementation, and application of novel methodologies that extend the frontiers of electronic structure theory in complex condensed-phase environments. By utilizing the computational techniques of quantum and statistical mechanics, the DiStasio group seeks to address challenging problems in theoretical chemistry and further our understanding of fundamental systems and processes of importance throughout all disciplines of chemistry, ranging from organic/inorganic chemistry (i.e., catalyst design, solvation/solvent effects) to biochemistry (i.e., stability, structure, and function of proteins, enzymes, and DNA/RNA, drug discovery) and materials science (i.e., molecular crystal polymorphism, forward and inverse design of novel materials).

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