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 2 1-09-2015: Michael Richer joined the Ayers group as an M.Sc. student. He will work on extending and improving geminals-based methods for strong electron correlation
1-09-2015: Caitlin Lanssens joined the Ayers group as a visiting student from Ghent University. She will work on interpreting geminal wavefunctions
25-08-2015: Kumru Dikmenli joined the Ayers group as a M.Sc. student. She won the International Excellence Award from the School of Graduate Studies and will work on new tools for interpreting chemical binding
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13-10-2015: Matt is talking about "Automatic derivation and evaluation of second quantized expressions." Please join us in ABB-204 (Tuesday) at 4:30pm.

06-10-2015: Anand is talking about "Rational Functions Extrapolations"

16-09-2015: Cristina will present her work on "Energy extrapolation: finding a systematic way to correct model energies"

26-08-2015: Summer students: Jonathan, Corinne, Sung, and Ali are presenting their summer research projects.

19-08-2015: James Anderson is presenting his work on "Relativistic Quantum Theory of Atoms in Molecules".