I am a Postdoctoral Associate at the Energy Sciences Institute, and the Department of Mechanical Engineering and Materials Science at Yale University, working with Prof. Diana Qiu. My overall research goal is to use atomic-scale modeling (both classical and ab initio methods) to understand the complex nature of material interfaces, which can be homophase (same material on either side of the interface, e.g. grain boundaries (GBs) in metals), or heterophase (such as metal-ceramic, metal-semiconductor interfaces). A fundamental understanding of the nature of these interfaces with regards to environmental conditions, intrinsic and extrinsic defects, stress conditions, temperature, etc. will greatly aid the design of novel energy and electronic devices. A new class of such heterostructures from stacking of van der Waals materials — commonly known as quasi-2D materials, has been gaining attention due to the possibility of precise control of electronic and optical properties in these materials. My current research is focused on understanding the Li intercalation in such quasi two-dimensional materials, e.g. Transition Metal Dichalcogenides (TMDs) and their heterostructures with hexagonal boron nitride (hBN) and graphene.