Computational Organic Chemistry


The Liu group use computational tools to study organic organometallic, and biocatalized reactions. We study how reactions occur, factors controlling rates and selectivity, and provide theoretical insights to help our experimental collaborators to develop improved catalysts and reagents.


In the News

  • [Oct 29, 2024] Research Highlight in the Dietrich School of Arts and Sciences homepage here at Pitt
  • [July 31, 2023] Computational Studies of biocatalytic systems highighed in PittWire

Funding

Current:

  • need info on these

Completed:

  • NIH: R35 GM128779 (PI) “Computational Models for Reactivity and Selectivity in Transition Metal Catalyzed Olefin Functionalization”; 09/01/2018 − 08/31/2023
  • NIH: U01 GM125290 (subaward) “Develop Catalytic Methods to Streamline the Assembly of Oligosaccharides”; 08/10/2017 − 06/30/2021NSF: CHE-1654122 (PI) “CAREER: Computational Studies of Transition-Metal-Catalyzed Reactions in Organic Synthesis”; 04/01/2017 − 03/31/2022
  • Mascaro Center for Sustainable Innovation: (PI) “Computational Methods to Design Efficient and Sustainable Chemical Catalysis”; 07/01/2018 − 06/30/2019
  • ONR: N000141410650 (subaward) “Design and Deployment of Multi-Tasking Catalysts: Externally Controlled Chemistry”; 06/01/2014 − 03/30/2019

Contact


Peng Liu

Professor


[email protected]


(412) 383-5065


Department of Chemistry

University of Pittsburgh

225 Eberly Hall
219 Parkman Avenue
Pittsburgh, PA 15260


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