Theoretical and Computational Chemistry

 is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. Classical approximations to the potential energy surface are used, as they are computationally less intensive than electronic calculations, to enable longer simulations of molecular dynamics and Structural Chemistry. Furthermore, cheminformatics uses even more empirical (and computationally cheaper) methods like machine learning such as Artificial Intelligence based on physicochemical properties. One typical problem in cheminformatics is to predict the binding affinity of drug molecules to a given target.

  • Bio informatics
  • Chem informatics
  • Density Function
  • Chemical Dynamics
  • Computational Anatomy
  • Mathematical Chemistry
  • Computational Neuroscience
  • Computational Biomodelling
  • Computational Pharmacology
  • Cancer Computational Biology
  • Computational Organic Chemistry
  • Artificial Intelligence in Chemistry
  • Molecular and Structural Chemistry

Related Conference of Theoretical and Computational Chemistry

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9th Global Summit on Mass Spectrometry

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International Conference on Pure & Applied Chemistry

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2nd International Conference on Biochemistry

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Global Meet on Green and Sustainable Chemistry

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February 22-23, 2021

11th International Conference on Chemistry 

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February 22-23, 2021

International Conference on Petrochemistry and Natural Gas

Prague, Czech Republic
February 22-23, 2021

7th International Conference on Physical and Theoretical Chemistry

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April 26-27, 2021

11th World Congress on Chromatography

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Theoretical and Computational Chemistry Conference Speakers

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