Academic Profile : Faculty

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Asst Prof Tej S. Choksi
Assistant Professor, School of Chemical and Biomedical Engineering
Tej Choksi received his Bachelors in Chemical Engineering from the Institute of Chemical Technology, Mumbai, India in 2012. He then obtained his PhD in Chemical Engineering from Purdue University, West Lafayette in December 2017. His dissertation research, under the guidance of Professor Jeffrey Greeley, focused on first principles studies of reducible oxides and metal/oxide interfacial catalysts. He then obtained postdoctoral research experience at Stanford University at the SUNCAT Centre for Interface Science and Catalysts under the supervision of Dr. Frank Abild-Pedersen. During his postdoc, he helped develop the alloy stability model, a unified framework for determining the stability and reactivity of alloy nanoparticles with active site precision. He started his independent scientific career in December 2019. He is also a co-Investigator at the Cambridge Centre for Advanced Research and Education in Singapore.
Our research group employs first principles calculations, statistical thermodynamics, and kinetic modelling to understand how catalysts work at the atomic scale. We employ a combination of data-driven and physics-based techniques to:

-identify the active site and reaction mechanism
-determine the catalyst structure under reaction conditions
-establish computational workflows for screening catalysts
-design new candidate catalysts using these computational workflows

Our group aims to discover new catalysts which will steer Singapore's transition into a sustainable economy. Our catalyst design efforts are focused on CO2 utilization, green hydrogen generation, and transforming waste into value.
  • Designing Atomically Precise Multifunctional Catalysts for Transforming Newer-age Feedstock into Chemicals and Fuels
  • Designing Coking Resistant Metal Carbide Catalysts for the Dry Reforming of Methane to Syn Gas: Insights from Multiscale Models and Experiments
  • Inverse Design of Two-Dimensional Heterostructures for Selective CO2 Electro-reduction using Artificial Intelligence
  • Liquid Organic Hydrogen Carriers (LOHCs) Technology for Singapore
  • Liquid Organic Hydrogen Carriers (LOHCs) Technology for Singapore (Chiyoda)
  • Liquid Organic Hydrogen Carriers (LOHCs) Technology for Singapore (PSA)
  • Liquid Organic Hydrogen Carriers (LOHCs) Technology for Singapore (Tej_SCBE)
  • Mastering Catalyst Dynamics to Create Active Site Motifs for Synthesizing Green Fuels
  • Rational Design of Low-Dimensional Gold-Support Heterostructures
  • Synergistic Effect between Nanostructured Catalysts and Ultrasound: Application in Biomass Conversion to Specialty Chemicals (SonoNanoCat)
  • The Computational Design of Catalysts by Balancing Stability, Efficiency, and Cost-Effectiveness: A Case Study using Fuel Cells