I am Computational Scientist expertising in AI technologies especially focusing on the domain of quantitative biophysics for integrative molecular approach. I am presently working in Computational Sciences & Engineering Division and Health Data Sciences Institute at Oak Ridge National Laboratory.

My current work lies on the interface of implementing Artificial Intelligence (AI) techniques, deploying multi-scale high performance accelerated simulations and performing scattering experiments (especially neutron and X-Ray) for problems related to soft matter systems especially Biomedical and biological sciences, and making new drug molecules with desired properties.

The broader goal is to find how the AI techniques can be optimally applied to the multi-scale modeling and simulation coupled with experiments to understand the underneath physics of bio(macro)molecular function, activity, folding, microscopic structure and dynamic behavior at different length and time scale and whether that knowledge could lead to designing new therapeutics. Additionally, I am developing AI tools to study large-scale datasets by learning the inherent hidden features of biomolecules in order to reduce the need for expensive computation or experiments.

I have authored over 50 scholarly articles including peer-reviewed high impact journal publications and conference proceedings. My works have been nominated for Gordon Bell prize, highlighted in popular Science magazines and featured in the US Department of Energy (DOE) Office of Science (SC).