Guanna Li

Dr. Guanna Li is an Assistant Professor in the Biobased Chemistry and Technology group at Wageningen University & Research. Her research focuses on catalyst design and reaction mechanism studies in heterogeneous catalysis, leveraging advanced computational methodologies such as DFT, ab initio molecular dynamics (AIMD), and machine learning. She investigates dynamic catalyst behavior under reaction conditions and aims to establish structure-activity relationships for rational catalyst design. Key areas include biomass conversion, CO2 hydrogenation, and plastic upcycling. Dr. Li holds a dual PhD from Eindhoven University of Technology (TU/e) and Dalian Institute of Chemical Physics, with postdoctoral experience at TU/e and Delft University of Technology, supported by a VENI Talent Programme grant (NWO, 2016). She collaborates closely with experimental groups to bridge theory and practice in catalytic processes.

Education: PhD in Heterogeneous Catalysis (TU/e), PhD in Raman Optical Activity (DICP), postdoctoral research at TU/e and Delft University of Technology.

Research Interests: Multiscale modeling of catalytic reactions, transition metal carbide catalysts, CO2 hydrogenation to methanol, plastic upcycling via mechano-catalysis, and surface reaction dynamics. Her methodologies include DFT, AIMD, and machine learning for mechanistic insights.

Projects: Transition metal carbide catalyst design, CO2 hydrogenation collaborations with DICP, and plastic upcycling initiatives. These projects emphasize synergy between computational and experimental approaches.

Awards: VENI Talent Programme Grant (2016).

Grants/Advising: Supervises MSc/PhD students and postdocs on catalysis and computational chemistry projects. Open to collaborations and applications for research positions.

Labs/Teams: Leads a research team in Wageningen’s Biobased Chemistry and Technology group, emphasizing computational catalysis and sustainable chemical processes.