Assistant Professor | Indian Institute of Technology Roorkee | India
Dr. Swastika Banerjee is a distinguished computational chemist and materials scientist, currently serving as an Assistant Professor in the Department of Chemistry at IIT Roorkee, India. With a strong research background in theoretical chemistry and materials informatics, she has made significant contributions to energy storage, electrochemistry, and computational materials design. Her work integrates advanced simulation techniques to develop novel materials for sustainable energy solutions.
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Strengths for the Awards✨
✅ Diverse Research Experience – With multiple postdoctoral positions at UC San Diego, University of Luxembourg, Lawrence Berkeley National Laboratory, and Shenzhen University, Banerjee has gained international exposure and collaborated with world-class researchers.
✅ Impactful Publications – Her research is published in high-impact journals such as Nature Communications, Journal of the American Chemical Society (JACS), Advanced Functional Materials, and ACS Applied Materials & Interfaces, demonstrating strong research impact. Many of these papers are as a corresponding author, indicating leadership in her field.
✅ Strong Contributions to Energy Storage and Materials Science – Her computational work on lithium-ion batteries, sodium-ion batteries, and solid electrolytes contributes significantly to advancing next-generation energy storage solutions, which are crucial for sustainable energy applications.
✅ Research Grants & Fellowships – She has secured competitive research grants such as the EMR-II/ASPIRE Grant (2024), Faculty Initiation Grant (IIT Roorkee, 2022), Core Research Grant (SERB, DST, India, 2022), and was offered the Ramanujan Fellowship and Alexander von Humboldt Fellowship.
✅ Patents & Innovations – A patent on “Chlorine-based sodium solid electrolyte” highlights her ability to translate research into practical applications, an essential factor for the award.
✅ Recognized Expertise – She serves as a reviewer for high-impact journals (Angewandte Chemie, Chemistry of Materials, Joule, Nature Communications), showcasing her standing in the scientific community.
Education 🎓
Dr. Banerjee obtained her Ph.D. from the Jawaharlal Nehru Center for Advanced Scientific Research, Bangalore (2011-2017). Prior to that, she earned an M.Sc. in Chemistry from IIT Kharagpur (2009-2011), securing the 3rd rank in her batch, and a B.Sc. in Chemistry (Hons) from The University of Burdwan (2006-2009), where she achieved the 1st rank in her university.
Experience 💼
- Assistant Professor, IIT Roorkee (2022-Present)
- Postdoctoral Associate, University of Luxembourg (Aug 2021 – Mar 2022)
- Postdoctoral Associate, University of California San Diego, USA (Mar 2019 – Jul 2021)
- Postdoctoral Researcher & Affiliate, Lawrence Berkeley National Laboratory & Shenzhen University, China (Jul 2017 – Feb 2019)
- Research Associate, Jawaharlal Nehru Center for Advanced Scientific Research, India (Jan 2017 – Jun 2017)
- Visiting Scientist, Institute of Semiconductors, Chinese Academy of Science, China (Nov 2016 – Dec 2016)
Research Interests On Materials🔍
Dr. Banerjee’s research focuses on computational materials science, exploring:
- Non-local many-body dispersion interactions in materials
- Electrochemistry and interfacial phenomena
- Battery materials and energy storage solutions
- Non-adiabaticity in chemical reactions
- Thermoelectric properties of nanostructures
- First-principles electronic structure theory
- Algorithmic development for large-scale simulations
- Materials informatics and data infrastructure
Research Contributions 🎯
Dr. Banerjee has advanced computational methods such as Density Functional Theory (DFT), Boltzmann Transport Equation modeling, and Non-Adiabatic Molecular Dynamics to study energy storage materials, excited state dynamics, and charge transport in semiconductors. Her theoretical insights have led to new frameworks for lithium superionic conductors and efficient electrode materials for next-generation batteries.
Awards & Recognitions 🏆
- EMR-II/ASPIRE Grant, CSIR, India (2024)
- Faculty Initiation Grant, IIT Roorkee (2022)
- Core Research Grant, SERB, DST, India (2022)
- Best Poster Awards at Chemical Frontiers (2015), Theoretical Chemistry Symposium (2014), Winter School on Frontiers in Materials (2014), and STCC-FC (2013)
- Jawaharlal Nehru Memorial Award for securing 1st rank in The University of Burdwan (2010)
- Alexander von Humboldt Fellowship for Postdoctoral Research (declined, 2021)
- Ramanujan Fellowship (declined, 2021)
- National Key R&D Program of China & National Natural Science Foundation of China Grants (2017)
- Merit Scholarship, IIT Kharagpur (2010-2011)
Publications 📚
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Rechargeable alkali-ion battery materials: theory and computation
- Authors: A Van der Ven, Z Deng, S Banerjee, SP Ong
- Year: 2020
- Citations: 255
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A stable cathode-solid electrolyte composite for high-voltage, long-cycle-life solid-state sodium-ion batteries
- Authors: EA Wu, S Banerjee, H Tang, PM Richardson, JM Doux, J Qi, Z Zhu, …
- Year: 2021
- Citations: 196
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Tunable Lithium-Ion Transport in Mixed-Halide Argyrodites Li6–xPS5–xClBrx: An Unusual Compositional Space
- Authors: SV Patel, S Banerjee, H Liu, P Wang, PH Chien, X Feng, J Liu, SP Ong, …
- Year: 2021
- Citations: 136
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Possible application of 2D-boron sheets as anode material in lithium ion battery: A DFT and AIMD study
- Authors: S Banerjee, G Periyasamy, SK Pati
- Year: 2014
- Citations: 99
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Bridging the gap between simulated and experimental ionic conductivities in lithium superionic conductors
- Authors: J Qi, S Banerjee, Y Zuo, C Chen, Z Zhu, MLH Chandrappa, X Li, SP Ong
- Year: 2021
- Citations: 84
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Origin of the Order–Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study
- Authors: SN Guin, S Banerjee, D Sanyal, SK Pati, K Biswas
- Year: 2016
- Citations: 52
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Anodic performance of black phosphorus in magnesium-ion batteries: the significance of Mg–P bond-synergy
- Authors: S Banerjee, SK Pati
- Year: 2016
- Citations: 49
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Thermodynamics and kinetics of the cathode–electrolyte interface in all-solid-state Li–S batteries
- Authors: ML Holekevi Chandrappa, J Qi, C Chen, S Banerjee, SP Ong
- Year: 2022
- Citations: 46
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Motif-based design of an oxysulfide class of lithium superionic conductors: Toward improved stability and record-high Li-ion conductivity
- Authors: S Banerjee, X Zhang, LW Wang
- Year: 2019
- Citations: 31
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Synthetic control of structure and conduction properties in Na–Y–Zr–Cl solid electrolytes
- Authors: E Sebti, J Qi, PM Richardson, P Ridley, EA Wu, S Banerjee, R Giovine, …
- Year: 2022
- Citations: 30
Conclusion 🔖
Dr. Swastika Banerjee is a leading scientist in the field of computational chemistry and materials science. With a deep understanding of first-principles simulations and data-driven materials design, she continues to push the boundaries of sustainable energy research. Through her academic and research contributions, she is shaping the future of next-generation energy storage and electronic materials development.
