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

October 14-15, 2019

12th Global Experts Meeting on Chemistry and Drug Design

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26th World Congress on Chemistry

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10th World Meet on Analytical Chemistry & Instrumentation

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World Polymer Chemistry & Biopolymers Congress

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6th International Conference on Polymer Chemistry

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16th European Organic Chemistry Congress

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8th Global Conference on Mass Spectrometry

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March 27-28, 2020

Analytical Chemistry & Drug Development

Dublin,Ireland
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Global Conference on Chemistry and Catalysis

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10th World Congress on Chromatography

April 16-17, 2020 Amsterdam | Netherlands
April 17-18, 2020

Green & Industrial Chemistry Congress

London, United Kingdom

9th World Congress on Mass Spectrometry

June 10-11, 2020 | Berlin, Germany
July 09-10, 2020

11th World Congress on Green Chemistry and Technology

Geneva, Switzerland
December 07-08, 2020

10th World Congress on Mass Spectrometry & Analytical Techniques

Prague | Czech Republic

Theoretical and Computational Chemistry Conference Speakers

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