KNU Lab

Theoretical chemistry at Kyungpook National University.

The lab develops methods and software for excited electronic states, nonadiabatic dynamics, spectroscopy, and quantum chemistry infrastructure.

Research

From theory to simulations

  • MRSF-TDDFT and related response theories
  • Nonadiabatic molecular dynamics in gas phase, solution, and biomolecular settings
  • Spin-orbit coupling, X-ray absorption, and spectroscopy
  • Open scientific software for practical quantum chemistry
Thymine excited-state dynamics figure

People

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