Computational Chemistry Laboratory

Programs and Courses

Graduate Program in Chemistry


Lines of Research

  • Catalysis and Kinetics
  • Spectroscopy
  • Molecular Modeling and Computational Chemistry
  • Petroleum, Natural Gas and Alternative Fuels
  • Compounds and Molecular Materials


Foreign languages used

  • English
  • German
  • Spanish


Activities developed

The main activities of the Comptational Chemistry Laboratory involves aplication of Molecular Modelling and Computer Simulation. Topics we are interest in are: Computation of Molecular Structures and Properties, Spectroscopy, Reaction Mechanism, Materials for Clean Technology, Gas Capture and Separation, Ionic Liquids and Catalysis.


Study background required

  • Chemistry, Physics, Chemical Engineering, Computer Science, Pharmacy, Mathematics, Material Science
  • The candidate should have some background in General Chemisty and Physical Chemistry (Physical Organic Chemistry or Physical Inorganic Chemistry).

Posted on


Skip to content