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Fundamental and Computational Sciences Directorate

Staff information

Niri Govind

Interfacial Sciences & Simulation
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-91
Richland, WA 99352

Research Interests

  • Development and implementation of electronic structure theory (DFT/TDDFT, GW/BSE) and semi-empirical methods.
  • Real-time TDDFT, ultrafast and excited state dynamics.
  • Computational spectroscopies (UV/Vis, Raman, NMR, X-ray).
  • Ab initio and classical molecular dynamics.
  • Applications of electronic structure methods to problems in chemical physics, catalysis, materials science, excited-state studies in molecules and materials.
  • Geometry optimization and transition state search algorithms.
  • Embedding methods, multi-physics approaches.
  • Orbital-free DFT.
  • Linear-scaling electronic structure methods.

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