More information

Research Interest: Nonadiabatic molecular dynamics, surface hopping, and method implementation

Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD

Research Interest: RT-TDDFT, Raman spectra calculation, and method implementation

Research Interest: Hubbard-corrected DFT (DFT+U) and method implementation

Research Interest: Density Functional Perturbation Theory, Maximally localized Wannier functions, Atomic orbital-based response theory

Research Interest: Photocatalyst, nonadiabatic molecular dynamics, and surface hopping

Research Interest: Maximally localized Wannier functions, Real-Time propagation, and method implementation

Research Interest: Enhanced sampling, machine learning, graph theory, catalysis, electron transfer, and method implementation

Research Interest: Real-time methods, vibrational spectroscopy

Research Interest: Excited states and method implementation

Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD

Research Interest: Machine Learning, and Post Hartree Fock and Density Functional Theory methods

Research Interest: Computational Chemistry