Department of Chemistry & Biochemistry

Physical/Computational

Dr. Hee-Seung Lee

Hee-Seung Lee

  • Molecular dynamics (MD) simulations of lipid membrane interacting with antimicrobial peptides.
  • Density functional theory (DFT) studies of catalytic effect of doped carbon nanotubes in fuel cell electrodes.
  • DFT and Time-dependent DFT studies of the photoinduced lectron transfer (PET) sensors.
  • Parallel implementation of large scale ab initio molecular dynamics code based on localized real-space basis.

Dr. Mike Messina

Mike Messina

  • Theoretical studies of quantum dynamics of laser-molecule interactions.
  • Computation algorithms for predicting rate constants and activation energies from experimental data.
  • Theoretical studies of solvation of the hydrogen atom in liquids.

Dr. Ying Wang

Ying Wang

  • Molecular basis and pharmaceutical intervention of hereditary cataract formation
  • Protein engineering of highly soluble myoglobin inspired by deep-diving whales
  • Thermodynamics-guided formulation development of pharmaceutical proteins and peptides