Computational Organic Chemistry

The Liu group use computational tools to study organic, organometallic, and biocatalyzed 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

Jan 14, 2025

[PittChem] Peng Liu Named Mellon Chair of Chemistry

Nov 20, 2024

[PittWire] Peng Liu is unraveling new reactions — and new ways of working together

Nov 15, 2023

[PittWire] A new chemical process makes it easier to craft amino acids that don’t exist in nature

Oct 29, 2023

[Pitt HomePage] Peng Liu Part of Research Team Published in Science

Jan 1, 2023

[Forbes Georgia] Group Alumni, Ilia, makes it to Georgia Forbes 30 Under 30 List

Click here for more highlights of our work

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 − 06/30/2021
NSF: 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

Curriculum vitae