Current areas of research of the Computer-aided chemical design group

  • The development of accurate and practical computational methodology for studying larger chemical reactions.
  • The design and experimental testing of better reagents for controlling the stereochemistry of radical polymerization.
  • Clarifying the mechanism by which organic materials degrade and the design of improved antioxidants.
  • Understanding the extraordinary catalytic power of enzymes. 
  • Tuning the debonding properties of self-healing materials.
  • Understanding the link between quantum chemistry and chemical reactivity.
  • Understanding and manipulating the effects of electric fields on chemical reactions.