Overview
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.
Research Focus
By utilizing the computational techniques of quantum and statistical mechanics, the DiStasio research 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).
Publications
Google Scholar: Robert A. DiStasio Jr.
In the news
- New research introduces ‘freedom of design’ for molecules
- Energy center receives $12.6 million in renewed funding
- Electrochemical reaction powers new drug discoveries
- Davis, Delimitrou, DiStasio win Sloan fellowships
- Four A&S assistant professors win NSF early career awards
- Pore size influences nature of complex nanostructures
- $10.75M grant aids next-gen fuel cell development
- Researchers sew atomic lattices seamlessly together
- 'Sticky waves': Molecular interactions at the nanoscale
