Samadhan Kapse obtained a M.Sc. in Physics in 2017 followed by a Ph.D. in 2023 with Computational and Homogeneous Catalysis group under the supervision of Prof. Ranjit Thapa at the SRM University-AP. The Ph.D. thesis was focused on catalytic descriptors, low dimensional carbon systems, machine learning methods, etc. to develop an effective screening approach for designing the ideal catalysts. He studied the π electronic descriptors as features in machine learning algorithms to develop effective predictive models for screening OER (Oxygen Evolution Reaction) and ORR (Oxygen Reduction Reaction) reactivity of carbon systems. Also, the valence electron occupancy is playing important role for defining reactivity of metal organic frameworks (MOFs) or single atom catalysts. Further, he identified that, the BF3 ionic liquids as electrolytes are favorable towards N2 solubility as well as easy N2 protonation for NH3 (Ammonia) synthesis. During doctoral period, he collaborated with experimental research groups having projects are on various catalytic reactions including OER, ORR, Nitrogen Reduction/Oxidation Reaction, Nitrate reduction reaction, hydrogen evolution reaction, CO2 reduction, urea synthesis. Recently, he joined to the IQCT of Barcelona where his research in heterogeneous catalysis as a PostDoc in the group led by Prof Francesc Illas Riera and Prof. Francesc Viñes Solana, working on the “Atom-Dispersed Catalysts for the Thermo-Photo Valorization of CO2: Experimental Design and Computational Modeling” project.

Finished thesis: 2023
Current group: Francesc Viñes / Francesc Illas