We discover new catalysts for a sustainable future

Developing new technologies that responsibly and sustainably utilize conventional and emergent feedstocks is critical to meet the energy needs of the future. Our group uses computer modeling to identify new materials and understand how they can be engineered to address these pressing issues. Nanoporous solids are one type of material that we are interested in because of their enormous potential as efficient catalysts. The intrinsic complexity and number of design parameters in these materials make it necessary to develop rules that guide practical implementation.

                         RECENT NEWS

November 2023: Dr. Bukowski receives a Doctoral New Investigator grant from ACS PRF. 

November 2023: Congratulations to Joshua Zhou for receiving a 2nd place trophy in Computing and Process Control II at the student poster session in AIChE Orlando!

October 2023: A preprint of Mingze’s paper is available on Chemrxiv! 

October 2023: Congratulations to Roberto for having his paper published in J. Phys. Chem. C! [link]

October 2023: Johns Hopkins University wrote an article on our sustainable aviation fuel research in collaboration with University of Alabama and Oak Ridge National Laboratory. Greener Skies Ahead

August 2023: Roberto’s paper on polysulfide adsorption on MOFs for Li-S batteries is live on ChemRxiv!

July 2023: Mingze’s first co-authored paper was published as a collaboration with Dr. Yayuan Liu’s group.

June 2023: Both Dr. Bukowski and Dr. Gupta gave talks, and Pranav presented  a poster at the North American Meeting of the North American Catalysis Society in Providence RI.



 M. Zheng and B.C. Bukowski*, “Probing the role of acid site distribution on water structure in aluminosilicate zeolites: insights from molecular dynamics”,    ChemRxiv, 2023.  [preprint link].

[28]  R. Wang†, B.C. Bukowski†,*, J. Duan, K. Zhang, R.Q. Snurr*, J. Hupp*, “Geometry and chemistry: Influence of pore functionalization on molecular transport and diffusion in solvent-filled zirconium metal-organic frameworks”, ACS Applied Materials and Interfaces 2023, [link] [preprint link] .


[27] R.A. Jarrin, K. Bennett, V.S. Thoi, B.C. Bukowski*, “Cations mediate lithium polysulfide adsorption in metal-organic frameworks for lithium-sulfur batteries”, J. Phys. Chem. C 2023, [link] [preprint link].


[26] Y. Xu, M. Zheng, C.B. Musgrave III, L. Zhang, W.A. Goddard III, B.C. Bukowski, Y. Liu*, “Assessing the kinetics of quinone-CO2 adduct formation for electrochemically mediated carbon capture”, ACS Sustainable Chemistry & Engineering, 11, 30, 11333-11341, 2023. [link]


[25]  A. Yang†, B.C. Bukowski†, D.M. Anstine, C.M Colina*, R.Q. Snurr*, W.R. Dichtel*, “Defect engineering of porous aromatic frameworks via end capping improves dioxane removal from water”, Matter, 6, 7, 2263-2273, 2023. [link]