Our newest research paper is up on the Expanded Group Additivity Framework for Thermochemical Prediction of Fluorocarbons and PFAS from Large-Scale DFT Data Congratulations to Sam for all his hard work on this paper! 
Computational Chemistry • Catalysis • Environmental Materials
Welcome to the Pellizzeri Lab
We are a dynamic research group at Eastern Illinois University (EIU Chemistry).
Our aim is to use quantum mechanical modeling to explore and understand small-molecule catalysis, material properties, and adsorptive materials for water treatment (see Research).
Featured Publication
Expanded Group Additivity Framework for Thermochemical Prediction of Fluorocarbons and PFAS from Large-Scale DFT Data
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Pellizzeri Group - Summer 2025</figcaption> </figure>
We are grateful for generous start-up funding from Eastern Illinois University, EIU Chemistry, ACS Peterolum Research Fund (PRF#65913-UNI6), and the Bridges-2 at Pittsburgh Supercomputing Center through allocations CHE220084, CHE220091, CHE230015, CHE250097 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program, which is supported by National Science Foundation grants #2138259, #2138286, #2138307, #2137603, and #2138296.
News
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18. Aug. 2026 -
15. July 2026 Sam has successfully defended his masters thesis. He is heading to Washington State University to receive his Ph.D in Chemistry. Congratulations.
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9. May 2026 Genevieve Graduated with her BS in Biochemistry. She is heading to Vanderbilt University to receive her Ph.D in Chemistry. Congratulations.
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8. June 2025 Would like to welcome three new undergraduate researchers to the group, Caityln Wattleworth, Noah Kubbs, and Preston Siewert.
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19. Oct. 2024 George Kacos won the East Central Illinois ACS Outstanding Poster Presentation award at the 9th Annual ECI ACS Undergraduate Research Conference for his poster titled: Multifaceted Computational Approach to Study the Thermal Decomposition of PFOA.
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3. June 2024 Would like to welcome a new undergraduate researcher to the group, George Kacos.
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