MMEC · IIT HyderabadShelaka Gupta

Multiscale Modelling in Energy & Catalysis · Indian Institute of Technology Hyderabad

Shelaka Gupta

Assistant ProfessorDepartment of Chemical EngineeringIndian Institute of Technology Hyderabad

Understanding and designing the atomic-scale catalyst features that govern molecular transformation.

Adsorbate diffusion across a metal surface.
Adsorbate diffusion across a metal surface.
Reaction intermediates bound at a catalytic active site.
Reaction intermediates bound at a catalytic active site.
A reaction pathway traced across a supported catalyst.
A reaction pathway traced across a supported catalyst.

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01

Research

Catalyst design from first principles — biomass upgrading, CO₂ conversion, and alloy descriptors.

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02

Group

The MMEC group — doctoral and master's researchers, and where our alumni have gone.

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03

Publications

Journal articles, patents and book chapters, with citation metrics from Google Scholar.

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