Theoretical and Computational Chemistry

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Theoretical and Computational Chemistry
Dr. Rajesh K. Murarka  Modeling and Simulations of Complex Biophysical Processes (such as, Self- Assembly of Peptides and Proteins, their interactions with Lipid Membranes, Allosteric Signalling Mechanism and Drug Design) leveraging the tools from Statistical Mechanics, High Performance Computing and Deep Learning
Dr. Varadharajan Srinivasan Computational Materials Science and Electronic Structure Theory
Dr. Rati Sharma Computational Reaction Kinetics, Monte Carlo Simulations, Mathematical Modeling of Signaling Pathways, and Machine Learning