Anupama Sharma

Ph.D. in Computational and Theoretical Sciences

I am a Computational and Theoretical chemist working in the field of Molecular Simulations and statistical mechanics. My research lies at the interface of chemistry and biology, where I explore the structure, dynamics, and interactions of complex systems ranging from confined liquids and nanomaterials to intrinsically disordered proteins (IDPs). I aim to develop and apply multiscale modeling integrating AI-ML approaches to uncover the physicochemical principles governing molecular recognition and interactions—advancing both therapeutic design and energy transport applications.

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