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About the Group
Welcome to the homepage of the “Computational Design of Functional Materials” research group at the Indian Institute of Technology, Delhi (IIT-D), India. We are part of the Department of Material Science and Engineering (DMSE) and the Department of Chemistry (joint) at IIT Delhi.
Our Mission
Our mission is to advance the field of materials design by leveraging computational tools and methodologies to predict, discover, and understand new functional materials for various applications.
Research
At CDFM, we focus on various research areas including:
- Phase Stability Prediction
- Electronic Structure Calculation
- Machine Learning for Materials Science
- Time-domain DFT for Excited Charge Carrier Dynamics
Contact
For inquiries, you can reach out to us via email at [email@example.com].
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