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A central challenge for scientists and engineers in the twenty-first century is to develop energy-efficient materials and structures that can mitigate global warming. Over the past four decades, India’s per capita oil consumption and carbon emissions have risen by more than three- and fourfold, underscoring the urgent need for sustainable technological innovation. In this pursuit, energy materials, semiconductors, and batteries are reshaping the foundations of modern technology—from efficient energy storage to quantum-scale devices.

Our group utilizes state-of-the-art ab initio, perturbative, lattice dynamical, and machine learning-based simulations to understand how electrons, phonons, and ions interact across scales, thereby linking atomic structure to macroscopic performance. We design and predict materials with tailored electronic, thermal, and mechanical properties through data-driven discovery and advanced theoretical modelling.

If you are a Physics, Chemistry, Materials Science, or Mechanical Engineering graduate eager to explore materials at the atomic scale, join us in advancing the science that powers a sustainable future.