Roberto Peverati

Roberto Peverati is an Associate Professor and Chemistry Program Chair at Florida Institute of Technology, working within the College of Engineering and Science in the Department of Chemistry and Chemical Engineering. His office is located in OPS 333, and he can be reached at rpeverati@fit.edu or (321) 674-7735.

Dr. Peverati's research focuses on electronic structure theory with two interconnected processes: teaching chemistry to computers by designing and implementing new theories into algorithms and computer programs, and using computers to teach us about unknown chemistry. His specific interests include computational chemistry, theoretical chemistry, chemical physics, quantum chemistry, and density functional theory. Current research projects include:

• Chiral synthesis of organic compounds (funded by NIH R15 grant with Dr. Norito Takenaka)
• Anti-doping science (funded by Partnership for Clean Competition grant with Dr. Chris Chouinard)
• Bio-organic chemistry, studying the uncaging mechanism of molecular photo-responsive caging compounds
• Philosophy of science, focusing on models/simulations, symmetry breaking, and emergent properties

His recent publications demonstrate a strong focus on density functional theory, with particular attention to spin systems, database development, and the creation of new computational methods. His work spans applications from astrochemistry to biochemistry, showing the versatility of computational approaches in modern chemistry. He has developed several databases (like ACCDB and CLB18) and contributed to major software packages (Q-Chem and NWChem).

Dr. Peverati has received notable recognition through competitive grants including an NIH R15 grant and funding from the Partnership for Clean Competition. His work in anti-doping science is particularly relevant to contemporary issues in sports medicine and analytical chemistry.

His advising and grant activities include mentoring students and researchers on computational chemistry projects, with current funding supporting research in chiral synthesis and anti-doping science. He collaborates extensively with experimental chemists to bridge computational predictions with laboratory findings.

Dr. Peverati leads the PVRT Research Lab, which focuses on theoretical and computational chemistry with applications across multiple domains of chemistry and material science. The lab is particularly known for its work on density functional theory, database development, and the creation of new computational methods for studying complex chemical systems.