Our research focuses on:

• Mathematical foundations of multiscale algorithms for quantum systems
• Electronic-structure theory: DFT and many-body Green’s functions (GW–BSE)
• Surrogate modeling and computational acceleration
• Algorithmic development for quantum computing platforms
• Integration of classical and quantum workflows for molecular simulation

We design mathematically sound, multiscale algorithms for quantum molecular science — connecting rigorous theory, computational modeling, and next-generation quantum computation.

Understanding and simulating quantum molecular systems is central to materials design, energy conversion, and chemical processes. Our work advances algorithmic foundations that make accurate and scalable quantum simulations feasible — with implications for both fundamental science and emerging technologies.