Computational Chemistry and Chemical Engineering

Today's computer models, as an artifact of the digital age, recreate chemical processes by integrating the concepts of classical & quantum physics. The Computational Chemistry Laboratory helps the computational chemist to carry out a systematic series of measurements and data analysis of molecular indices/properties. Computational chemists use supercomputers to find solutions to problems and to produce simulations that minimize enormous quantities of knowledge, which is otherwise quite time consuming. Other significant techniques include methods of electronic structure, relationships of quantitative structure-activity, cheminformatics, complete statistical analysis & simulations of molecular dynamics. Computational chemists use vast databases, mathematical algorithms and statistics to combine chemical theory and modelling with experimental observations. Chemical engineering is the discipline that influences many fields of technology. Chemical engineers have pharmaceutical and environmental potential.

  • Track 1-1 Automobile construction
  • Track 2-2 Molecular Nanosystems
  • Track 3-3 Quantum chemistry
  • Track 4-4 Molecular dynamics
  • Track 5-5 Electronic structure methods
  • Track 6-6 Computational chemistry
  • Track 7-7 Cheminformatics

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