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ABOUT US
ABOUT US
At our research group, we are deeply passionate about the power of atomistic simulation to unlock the secrets of complex condensed matter systems. We believe that by leveraging state-of-the-art simulation techniques, we can push the boundaries of what's possible in material science and beyond. Our research efforts are truly interdisciplinary, drawing on fundamental concepts from statistical mechanics, quantum mechanics, and kinetic theory. We are committed to developing cutting-edge multiscale models that enable us to explore a wide range of problems, including strain engineering of two-dimensional materials, the mechanical and optoelectronic response of vdW heterostructures, and energy storage systems.
At our research group, we are deeply passionate about the power of atomistic simulation to unlock the secrets of complex condensed matter systems. We believe that by leveraging state-of-the-art simulation techniques, we can push the boundaries of what's possible in material science and beyond. Our research efforts are truly interdisciplinary, drawing on fundamental concepts from statistical mechanics, quantum mechanics, and kinetic theory. We are committed to developing cutting-edge multiscale models that enable us to explore a wide range of problems, including strain engineering of two-dimensional materials, the mechanical and optoelectronic response of vdW heterostructures, and energy storage systems.
At the heart of our research is the belief that a deeper understanding of materials at the atomic and molecular level is essential for the development of sustainable energy technologies and the creation of new materials with unique properties and applications. Through our work, we aim to contribute to the advancement of clean energy, next-generation electronic and optoelectronic devices, and materials science more broadly.
At the heart of our research is the belief that a deeper understanding of materials at the atomic and molecular level is essential for the development of sustainable energy technologies and the creation of new materials with unique properties and applications. Through our work, we aim to contribute to the advancement of clean energy, next-generation electronic and optoelectronic devices, and materials science more broadly.
We also collaborate with experimentalists to develop new theoretical frameworks, computational models, and simulation tools that enable us to understand complex phenomena observed in experiments.
We also collaborate with experimentalists to develop new theoretical frameworks, computational models, and simulation tools that enable us to understand complex phenomena observed in experiments.
News and Highlights
News and Highlights
Novel Bifunctional Current Collectors for Lean-Lithium Batteries: A Collaborative Success published in Advanced Functional Materials led by Prof. Shaijumon at IISER TVM.
We would like to congratulate Sidhant and Soumyashree for the publication of their first article, "Tailoring Electrochemical Properties of Ether-based Solvents through Fluorination-Driven Solvation Control", in ACS Applied Energy Materials.
Congratulations to Swayamshree for the article "Predicting Gene Expression Changes from Chromatin Structure Modification", which has now been published in npj systems biology and applications.
CNRG congratulates Saheb on his article, "Tailoring Contact Properties in Janus TMD Spin-FETs for Enhanced Spin Transport: A Bilayer interface Approach" published in ACS Applied Electronic Materials.
Congratulations to Dr. Hemant Kumar for receiveing Dr. APJ Abdul Kalam HPC Awards 2025 in the Young Researcher - R&D in HPC Applications category!
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