Selva Chandrasekaran Selvaraj
Selva Chandrasekaran Selvaraj is a researcher in the field of AI materials science, utilizing quantum chemical concepts and machine learning methods to address challenging problems related to energy materials and battery performance by deploying GPU-accelerated quantum simulations and Machine Learning Molecular Dynamics (MLMD). His work focuses on the design and development of high-performance green materials for energy conversion, storage, and utilization, employing quantum and molecular mechanics simulations, cell-level modeling, and machine learning techniques
Selva's work leverages machine learning algorithms to accelerate materials discovery by rapidly screening vast databases of materials for potential candidates. His research position is currently affiliated with the University of Illinois Chicago and Argonne National Laboratory.
• Computational Materials Science
• Density Functional Theory Simulations
• Deep Quantum Chemical Simulation
• Accelerated Materials Discovery
• Machine Learning Force Fields