Theoretical and Computational Chemistry
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 |