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:
- Light-Matter interactions in chemistry: plasmon and polariton Chemistry
- Cavity quantum materials
- Quantum Computation and quantum information science
- Quantum transport and quantum dissipation
- Exascale computation
News
July 1st, 2025Our project Quantum-centric embedding theory for quantum many-body physics was funded by LDRD.
June 24, 2025Our collaborative perspective article, A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits, is available in arXiv.
June 11, 2025Our collaborative work on Toward an Understanding of Linear Scaling Relations through Energy Decomposition Analysis is published in JACS Au.