Funding and Computational Resources
We appreciate the generous support from federal funding agnecies, our industrial partners, and the University of Pittsburgh.
Current Funding Support
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NIH (R35 GM128779) (2023-2028)
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Title: Computational Models for Reactivity and Selectivity in Catalytic Olefin Functionalization
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NSF (CHE-2247505) (2023-2026)
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Title: Computational Studies of Selective C–H Functionalization Reactions
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NSF (CHE-2400359) (2024-2027) — collaboration with Prof. Keary Engle (Scripps)
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Title: Synthetic and Mechanistic Studies of Nickel-Catalyzed 1,2-Dicarbofunctionalization of Alkenes
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NSF (CHE-2400087) (2024-2027) — collaboration with Prof. Yang Yang (UCSB)
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Title: An Integrated Computational and Experimental Approach to Investigating New Enzymatic Mechanisms
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NSF (CHE-2453734) (2025-2028) — collaboration with Prof. Kay Brummond (U. Pitt) and Dr. Jamie McCabe Dunn (Merck)
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Title: GOALI: Advancing a Mechanism-Driven Predictive Model for the Catalyst-controlled Asymmetric Rh(I)- Catalyzed Pauson-Khand Reaction
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NSF (ITE-2448848) (2025-2027) — collaboration with Profs. Yang Yang (UCSB), Bill DeGrado (UCSF), Mike Therien (Duke), and Twist Bioscience
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Title: Ideas Labs: USPRD: De Novo Design and Evolution of Enzymes for Biomass Upcycling to Surfactants and Fuels
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Supercomputer Resources
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Center for Research Computing and Data (CRCD), University of Pittsburgh
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With support from the NSF (OAC-2117681) and NIH (S10OD028483)
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- Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS)
- Project: CHE140139: Computational Studies of Transition Metal and Enzyme-Catalyzed Organic Reactions
- Supported by the NSF (OAC-2138259, OAC-2138286, OAC-2138307, OAC-2137603, and OAC-2138296.)