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We are a multiscale/multiphysics theory and modeling team of the Theoretical Division at Los Alamos National Laboratory (LANL), working on the development of theoretical models and numerical algorithms for understanding the electronic structure and dynamics of complex molecular systems, condensed matter, and open quantum systems. Our current research interests include:

  1. Light-Matter interactions in chemistry: plasmon and polariton Chemistry
  2. Cavity quantum materials
  3. Quantum Computation and quantum information science
  4. Quantum transport and quantum dissipation
  5. Exascale computation

News

Sep 2nd, 2025

Nikhil V. Seshadri, SULI student, joined our team.

Aug 4th, 2025

Jacob Williams, former PhD student in Prof. Weitao Yang's group, joined our team.

July 1st, 2025

Our project Quantum-centric embedding theory for quantum many-body physics was funded by LDRD.

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