Computational Chemistry

Computational chemistry is a branch of chemistry that uses computer simulation to help in understanding and solving chemical issues. It uses strategies of theoretical chemistry (mathematical portrayal of chemistry), consolidated into effective computer programs, to determine the structures and properties of molecules and solids. There are two primary branches of computational chemistry: one is based on classical mechanics, and the other is based on quantum mechanics. Computational chemistry has become an important way to explore materials that are too challenging to discover or as well costly to buy. It further assists chemists to make expectations before running the real experiments so that they can be way better prepared for making observations.

  • Theoretical chemistry
  • Bioinformatics
  • Cheminformatics
  • Biomolecular modelling
  • Synthetic biology
  • Genome analysis
  • Chemical and Molecular dynamics
  • Proteogenomics
  • Artificial intelligence

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