Post-Doctoral Research Associate

with Professors Ward H. Thompson and Timothy A. Jackson,

Center for Environmentally Beneficial Catalysis (CEBC)

and

Department of Chemistry,

University of Kansas, Lawrence, KS-66045

 

 

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Research Interests: Computational Bioinorganic Chemistry, Computational Organometallic Chemistry, and Computational Physical Organic Chemistry

 

The study of biologically and industrially important chemical processes at the molecular level using modern computational methods is my primary research interests. 

My current research projects at CEBC, University of Kansas are focused on gaining an improved understanding of industrially important chemical processes, and involve extensive collaboration with Chemical Engineering groups of Professors Bala Subramaniam and Raghunath V. Chaudhari. With Professor Thompson, and in close collaboration with Professor Subramaniam’s research group, I am performing electronic structure calculations for finding the unconventional mechanistic pathways for the olefin ozonolysis that has not only received renewed attention as a means to break down long chain biomass molecules into more useful renewable chemical intermediates, but is also relevant in atmospheric context. With Professor Jackson, and in extensive collaboration with Professor Chaudhari’s lab, I am performing the quantum mechanical modelling of the rhodium-catalyzed hydroformylation process, which is one of the most important homogenously catalyzed industrial processes for the production of aldehydes and their derivatives. 

During my PhD research work in Professor Kozlowski’s lab, I gained extensive experience in the application of ab initio quantum chemistry methods to the research problems of bioinorganic chemistry. Based on electronic structure calculations, we proposed a mechanism that can offer insight into the cobalt-carbon bond activation mechanism in B12-dependent mutases that catalyze a variety of complex chemical transformations. Our computational modeling studies of methyltransferases have predicted the existence of a new kind of interaction between the Co(I) ion of cob(I)alamin  and its axial ligands, and has led to the "revision of the existing mechanism" for the cob(II)alamin/cob(I)alamin redox process, which is a key chemical event in the this class of transferases.

 

Selected Publications


Thompson Group News
One of 34 U.S. public institutions in the prestigious Association of American Universities
44 nationally ranked graduate programs.
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Top 50 nationwide for size of library collection.
—ALA
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