I am a computationalist currently working as an Associate Professor at the Centre for Computational and Data Sciences, Indian Institute of Technology Kharagpur, India. My research interests lie at the intersection of chemistry, physics, and materials science. In my research group, we employ various simulation techniques, including Molecular Dynamics, Density Functional Theory, and enhanced sampling methods, to address research challenges in the fields of supramolecular polymers and metal-organic frameworks. In addition, we apply global optimization techniques and machine-learning-based techniques to accelerate the design and discovery of functional soft and porous materials.

More details of my current research activities can be found here.