Computational Laboratory for Energy ApplicatioN (CLEAN)

Computational Laboratory for Energy ApplicatioN (CLEAN) is a research group led by Dr. Swastika Banerjee, Assistant Professor at the Department of Chemistry, IIT Roorkee. This lab is dedicated to material research. We aim to design and understand the chemistry of functional materials for energy storage, primarily focusing on battery materials for next-generation technology. Our recent research accomplishments highlight the designing of intercalation materials for lithium/sodium/magnesium ion batteries and solid electrolytes for lithium/sodium-ion solid-state rechargeable batteries. We aim to develop cutting-edge computational approaches for large-scale simulation of realistic materials with various functionalities, such as catalysis, thermoelectric properties, charge carrier (electron/hole) transport, and trapping.