About Us

We develop new theoretical, computational, and conceptual methods for understanding, interpreting, predicting, and quantifying chemical phenomena. We are particularly interested in how electrons rearrange during chemical reactions, molecular rearrangements, and redox processes. The tools we develop are applicable to a wide range of chemical processes, including drug design and medicinal chemistry, nuclear waste reprocessing and remediation, and catalysis.


Image 1 Paul A. Johnson defended his Ph.D. thesis September 26, 2014. Congratulations Dr. Johnson!!!
Image 1 Dr. Stijn Fias is visiting the Ayers group from February 1, 2015 until May 8, 2015. Welcome Stijn!!!
Image 1

04-03-2015: Yilin will give a talk on "Dissecting the bond formation process of Palladium-ethene complexes with multi-reference approaches". Please join us in ABB-204 (Wednesday) at 4pm.

27-02-2015: Kasia will present her work on geminals entitled "The not so short introduction to geminals".

18-02-2015: Ramon will present his work on "Fractional electron numbers and chemical reactivity".

11-02-2015: This week Stijn will talk about "The Linear Response Function and its application in chemistry and physics".

04-02-2015: Marco is talking about "Chemical reactivity in finite temperature"

28-01-2015: The first group meeting in 2015 starts at 4pm in our back room. Please join!!!