Computational Chemistry

Computational chemistry is one of the sub-disciplines of chemistry that makes use of computer simulation that aids in solving the existing complicated chemical problems. This is also used to inquire about the fundamental physical and chemical properties of the atomic and molecular constituents using the principles of quantum mechanics and thermodynamics. It can also be utilized to determine the vibrational spectra of the simple molecules. It has become one of the integral tools in most of the sub-disciplines of chemistry.

  • Track 5-1 Quantum mechanics
  • Track 5-2 Phototherapy
  • Track 5-3 Adsorption science
  • Track 5-4 Molecular dynamics
  • Track 5-5 Chemical dynamics


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