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Welcome to the Sharma group website

My group’s research efforts are directed towards developing algorithms that solve the problem of electronic structure theory. This involves solving the Schrödinger equation given the positions of nuclei and the number of electrons in a system, with the goal of obtaining the electronic wavefunction of the system. The electronic wavefunction encapsulates all the information about the system, including its energies and spectroscopic properties. Our work lies at the interface of chemistry, physics, material science and applied mathematics.

A crucial component of our work also involves collaborating with experimentalists to theoretically study challenging systems, such as metal-organic frameworks, covalent organic frameworks, atomic layer etching, atmospheric chemistry, and light-matter interaction in quantum cavities.