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:
- Quantum Computation
- Light-Matter interactions: plasmon and polariton Chemistry
- Exascale computation
- Quantum transport and quantum dissipation
- Molecular quantum information science
News
Apr 8th, 2024Our collaborative work on Co-design for Particle Applications at Exascale, supported by DOE Exascale Computing Project (ECP), is published in IEEE Computing in Science & Engineering
Mar 29th, 2024Our paper on Quantum davidson algorithm for excited states is published in Quantum Sci. Technol.
Mar 29th, 2024Our collaborative work on Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels, supported by DOE Exascale Computing Project (ECP), is published in J. Chem. Phys.