Prof. Raghavachari is perhaps best known for his work on the development and applications of electron correlation techniques in computational quantum chemistry. His work covers a broad spectrum of problems ranging from chemical bonding in small clusters to computational investigations of semiconductor and nanoscale materials. Most recently, his group is also focused on the development of the new electronic embedding methods in quantum chemistry and the development of accurate methods for theoretical thermochemistry.


  • QM:QM Developments
  • Fragmentation Methods
  • Designer Atoms
  • Catalysis and Nanoparticles
  • Computational Thermochemistry
  • Surface Science
  • Bio-organic and Supramolecular Chemistry
PhD, Carnegie Mellon University, 1981
MSc, Indian Institute of Technology Madras, 1975
BSc, University of Madras, 1973