Computational Laboratory for Energy ApplicatioN
ऊर्जा अनुप्रयोग संगणक प्रयोगशाला
Welcome to CLEAN group!
Led by Dr. Swastika Banerjee
Swastika currently is assistant professor at the Department of Chemistry, Indian Institute of Technology, Roorkee (IITR). She received her Ph.D. in Computational Materials Science from Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Bangalore in 2017, after that she pursued as a postdoc and affiliate at Lawrence Berkeley National Laboratory and Shenzhen University till Feb, 2019. Swastika moved to University of California San Diego and continued working as postdoctoral associate till July, 2021, after which she pursued her postdoctoral research at University of Luxembourg till March, 2022. Her current research group at IITR – Computational Laboratory for Energy ApplicatioN (CLEAN) – aims at designing and understanding the chemistry of functional materials for energy storage, primarily focusing on battery materials for next generation technology. Her 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. Another programs include the development of cutting edge computational approaches for large scale simulation of the realistic materials with various functionalities, such as, catalysis, thermoelectric properties, charge carrier (electron/hole) transport and trapping. Dr. Banerjee’s current CV can be found here.
Research Interests
Role of Non-Local Many Body Dispersion Interactions on Materials’ properties
Electrochemistry and Interfacial phenomena
Energy Storage focusing on Battery Materials Research
Non-Adiabaticity in Chemical Reactions
Thermoelectric property of Nanostructures
First-principles electronic structure theory
Algorithmic development for large scale simulation
Creating Materials Data Infrastructure & Developing Materials Informatics
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