psinha21@iitk.ac.in
Reliance, Mumbai (Dec 2021 - Present)
Research Area Machine Learning driven Discovery of two-dimensional catalysts for Hydrogen Evolution Reaction
Area of Interest Our work is to find the best two-dimensional MXene catalysts for Hydrogen Evolution Reaction using combined density functional theory and machine learning approaches. We explore different atomistic and structural properties of MXenes. We employ Scikit-learn and TensorFlow for fashioning different regression models from simple linear regression to artificial neural networks, in order to predict the Gibbs Free Energy.
Expertise