The CCAMR specializes in first-principles computational modeling of advanced materials with a focus on frontier energy and electronics applications, including Nanomaterials, batteries, fuel cells, and solar cells,. Utilizing state-of-the-art computational tools like VASP, Gaussian 09 (G09), and machine learning techniques, the aims to advance the understanding and design of novel materials. Key research areas include the development of high-performance fuel cells and batteries, leveraging cutting-edge simulations to explore catalytic properties, charge transport, and materials' electronic structures.