Have you ever wondered how quantum chemistry can be used to compute properties of solids and materials? We explore this exciting question/opportunity with focus on method developments for electrocatalysis.
Learn MoreHow do lattice vibration and light-matter interaction modulate transport and optical properties of materials? Our group develops theory and computational methods to answer these questions in the context of solar energy applications.
Can quantum computers enable more exciting and scalable computations relevant for chemistry and physics? Our group develops state-of-the-art quantum-classical hybrid algorithms that attempt to address this question.
Do you have any exciting materials problems that can be unraveled by quantum chemical simulations? Our group identifies interesting problems in materials science and solves them by means of quantum chemistry.
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