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 2 13-05-2015: Paul Ayers University Scholar Recipient
13-04-2015: Paul, Kasia, Paweł, and Corinne won one of the 15 grants of the New Scientific Collaboration Support Program of the France Canada Research Fund (FCRF) 2015 together with the research group of Valerie Vallet
18-03-2015: Corinne has won a NSERC Undergraduate Student Research Award fellowship for the summer of 2015. Congratulations Corinne!!!
Image 1 Dr. Stijn Fias is visiting the Ayers group from February 1, 2015 until May 8, 2015. Welcome Stijn!!!
Image 1

27-05-2015: Ramon is going to talk about "Comparisons and models" Please join us in ABB-204 (Wednesday) at 4pm.

20-05-2015: Paul Johnson will give a talk entitled "A Crash Course in Group Theory".

13-05-2015: Chunying will give a talk about "Developing Density Functional Reactivitiy Theory with Information Theory".

06-05-2015: Matt is giving a talk on "Cholesky Decomposition and Density Fitting in HORTON*".

29-04-2015: David is presenting a talk entitled "Quasiatomic orbitals and other things".

22-04-2015: Paweł will talk about "Orbital entanglement in quantum chemistry".

15-04-2015: Derrick is talking about "Flat-Plane Condition and Spin-Reactivity Indicator for Atoms and Ions".

08-04-2015: Cristina will talk about "Electronic Spectra of ThO and ThS".

01-04-2015: Diego is doing a "Python workshop".

11-03-2015: Sung will present his thesis project entitled "Elucidating the cation-cation interaction between uranyl cations".

04-03-2015: Yilin will give a talk on "Dissecting the bond formation process of Palladium-ethene complexes with multi-reference approaches".

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!!!