Raghavendra Meena
A computational materials scientist exploring the frontiers of sustainable catalysis (of biomass) through desnity functional, machine learning, and other multiscale modeling methodologies at Wageningen University & Research.
Research & Expertise
I'm a doctoral researcher in the Biobased Chemistry & Technology group at Wageningen University, working under Prof. Harry J. Bitter, Prof. Han Zuilhof, and Dr. Guanna Li on multiscale modeling of supported metal catalysts.
My work combines density functional theory (DFT), ab initio molecular dynamics, and machine learning to understand and design more efficient catalysts for sustainable biomass conversion.
Prior to my PhD, I completed a BS-MS degree from IISER Pune, India, and a Master's thesis at Sorbonne Université, studying the magnetic properties of graphene nanoribbons using quantum Monte Carlo methods.
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.
raghavendra.meena@wur.nl