About me

I am a computational chemist and machine learning (ML) researcher passionate about solving complex problems in biology, chemistry, drug discovery, and materials science using innovative ML techniques. During my Ph.D. with Prof Deva Priyakumar, I had the opportunity to work on several research projects at the confluence of machine learning and computational chemistry. Some of my work includes 3D structure generation using reinforcement learning, benchmarking deep neural network potentials, and developing reinforcement learning methods for molecular geometry optimization. I am passionate about applying my skills to solve real-world problems in drug discovery, materials science, and environmental sustainability.

Research Interests

• ML potentials/Neural network potentials (NNP)
• Material Science
• Molecules & Material design (3D structure generation)
• Molecular geometry optimization (MGO)
• Cryptic site discovery