Theoretical and Computational Chemistry

Theoretical chemistry is the discipline that uses quantum mechanics, classical mechanics, and statistical mechanics to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. Modern theoretical chemistry may be roughly divided into the study of chemical structure and the study of chemical dynamics

  • Track 1-1 Computational Studies of Nanoscale Materials
  • Track 2-2 Materials for Energy Storage and Conversion
  • Track 3-3 Materials Informatics
  • Track 4-4 Phase-Change Alloy for Memory Applications
  • Track 5-5 Extended Time Scale Simulation Studies of Nanoscale Friction
  • Track 6-6 Meta-Codes for Computational Kinetics

Related Conference of Materials Science