Bio
Rajni Chahal is working as a Postdoctoral Research Associate in Carbon and Composites Group in Chemical Science Division at Oak Ridge National Laboratory. Her research focuses on developing machine learning potentials to enable molecular modeling of materials to understand their structure and properties. Before joining ORNL, she worked as a Postdoctoral researcher at UMass Lowell and contributed to developing NNIP potentials for molten salts. She earned her Ph.D. degree in Aerospace Engineering from The University of Texas at Arlington, where she worked on multiscale modeling of carbon nanotube reinforced polymer composites. Her future research interests lie in development of robust and trustworthy reactive and charge-informed machine learning potentials. She is also dedicated towards incorporating rigorous uncertainty quantification metrics into NNIP development to reduce data need, time, and energy consumption by eliminating bling training data generation on leadership computing facilities.