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Theoretical Molecular Science Laboratory
Department of Chemistry
Indian Institute of Technology Bombay
Our research group is dedicated to pushing the boundaries of quantum chemistry by blending the power of quantum computing with traditional many-body methods. We’re also making quantum chemistry calculations smarter and faster using advanced machine learning and generative Artificial Intelligence. Our other approaches draw on non-linear dynamics and many-body theories to create efficient tools for the computation of accurate molecular properties for ground and excited states. With scalable fragment-based methods, we’re unlocking the chemistry of complex molecular systems, paving the way for transformative breakthroughs in materials science and beyond.
Recent Publications
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