Francesco Paesani

Chemistry and Biochemistry


Research Focus
Quantum dynamics and statistical mechanics from the gas to the condensed phase.

Research Summary

We are a theoretical chemistry group working at the intersection of quantum chemistry, statistical mechanics, and computer science. We are interested in developing new methods and software to predict the behavior of complex molecular systems at different length and time scales.

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Lab Website


Francesco Paesani received his Ph.D. in Theoretical Physical Chemistry from the University of Rome “La Sapienza” in 2000. He was a postdoctoral fellow at the University of California, Berkeley, working with Professor Birgitta Whaley, and at the University of Utah, working with Professor Gregory Voth. In 2009, he joined the faculty of the University of California, San Diego, where he was promoted to Associate Professor in 2015 and Professor in 2017. He is currently the Kurt Shuler Faculty Scholar in the Department of Chemistry and Biochemistry, and is affiliated with the Materials Science and Engineering graduate program and the San Diego Supercomputer Center. He is a founding member of the Halicioǧlu Data Science Institute. His research focuses on the development, implementation, and application of many-body theories at the intersection of chemistry, physics, and computer science for predictive molecular simulations of complex systems. He received the ACS OpenEye Outstanding Junior Faculty Award in Computational Chemistry in 2014, the NSF CAREER Award in 2015, the ACS Early Career Award in Theoretical Chemistry in 2016, the Legacy Lecture Award from UC San Diego student body in 2017, and the Cozzarelli Prize (National Academy of Sciences U.S.A.). He served as the Chair Elect (2017), Vice Chair (2018), and Chair (2019) of the Theoretical Chemistry Subdivision of the American Chemical Society. He is currently the Vice Chair Elect of the American Chemical Society Division of Physical Chemistry.