Hello, I'm

Raghavendra Meena

A computational materials scientist exploring the frontiers of sustainable catalysis (of biomass) through density functional theory (DFT), ab initio molecular dynamics (AIMD), microkinetic modeling (MKM), metadynamics, and machine learning techniques at Wageningen University & Research.

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Raghavendra Meena
About

Research & Expertise

Raghavendra Meena is a researcher in the Biobased Chemistry & Technology group at Wageningen University & Research in the Netherlands. Raghavendra's research primarily uses computational materials science and theoretical chemistry to address global challenges in sustainable catalysis. His work, performed in collaboration with experimental groups, focuses on several key areas:

  • Sustainable Catalysis & Biomass Conversion: Meena's work involves the design and characterization of transition metal carbides and oxy-carbides as efficient, non-noble metal catalysts for reactions like hydrodeoxygenation (HDO) of biomass feedstocks. This includes identifying activity descriptors using machine learning to rationally design more efficient catalysts.
  • Plastic Waste Conversion: A significant recent contribution is the development of surface-activated mechano-catalysis for the ambient conversion of plastic waste (specifically polypropylene) into valuable hydrocarbons. This novel, high-efficiency method operates at room temperature and pressure by exploiting mechanochemically generated radical intermediates.
  • Electrochemical Transformations: His research also explores the electrochemical bromination of bio-derived molecules, such as methyl levulinate, to understand how solvent choice can be used to control reaction selectivity.
  • Quantum Materials: Earlier in his career, he used ab initio methods, including quantum Monte Carlo simulations, to study the magnetic and electronic properties of narrow zigzag graphene nanoribbons for potential spintronic applications.

    • Transition Metal Carbides

    Design and characterization of Mo/W (oxy)carbides for hydrodeoxygenation reactions

    Mechanocatalysis

    Plastic waste conversion under ambient conditions via surface-activated processes

    Electrochemistry

    Regioselective transformations of bio-derived molecules via electrochemical methods

    Machine Learning

    ML potentials (MACE, fair-chem) and interpretable descriptors (SISSO) for catalysis

    Let's Connect

    Interested in collaboration, research discussions, or just want to say hello? I'd love to hear from you.