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. The former includes studies of: (a) electronic structure, potential energy surfaces, and force fields; (b) vibrational-rotational motion; and (c) equilibrium properties of condensed-phase systems and macro-molecules. Chemical dynamics includes: (a) bimolecular kinetics and the collision theory of reactions and energy transfer; (b) unimolecular rate theory and metastable states; and (c) condensed-phase and macromolecular aspects of dynamics.

  • Quantum Mechanics
  • Molecular Modelling
  • Molecular Dynamics
  • Theoretical Chemical Kinetics
  • Mathematical Chemistry
  • Molecular Mechanics
  • Cheminformatics
  • Theoretical Chemistry Advances and Perspectives
  • Theoretical Experimental Chemistry
  • Chemical Dynamics
  • Statistical Mechanics
  • Ab initio and Electronic Structure Methods
  • Monte Carlo simulations

Related Conference of Theoretical and Computational Chemistry

July 10-11,2017

3rd International Conference on Electrochemistry

Berlin, Germany
July 13-14, 2017 Golden Tulip Berlin - Hotel Hamburg,

2nd International Conference and Exhibition on Materials Science and Chemistry

Berlin, Germany
July 17-19, 2017

3rd International Conference on Organic & Inorganic Chemistry

(10 Plenary Forums - 1Event) Chicago, Illinois, USA
September 04-06, 2017

5th Global Chemistry Congress

London, UK
September 07-09, 2017

Annual Chemistry Meeting

Macau, Hong Kong
September 11-12, 2017

3rd World Chemistry Conference

Dallas, Texas, USA
September 25-27, 2017

5th International Conference on Current Trends in Mass Spectrometry and Chromatography


(10 Plenary Forums - 1Event)
Atlanta, Georgia, USA
September 28-29, 2017
(10 Plenary Forums-1 Event)

2nd International Conference on Clinical Chemistry and Laboratory Medicine

Atlanta, Georgia, USA
October 02-04, 2017

2nd International Conference on Pharmaceutical Chemistry

Barcelona, Spain
October 09-11, 2017

Global Experts Meeting on Medicinal Chemistry

Auckland, Newzeland
October 12-13, 2017

Annual Meeting on Separation Techniques

Osaka, Japan
October 18-19, 2017

10th Annual Chemistry Congress

Osaka, Japan
(10 Plenary Forums-1Event)
November 02-03, 2017

18th World Conference and Exhibition on Analytical & Bioanalytical Chromatographic Techniques

Atlanta, Georgia, USA
November 15-16, 2017

2nd International Conference on Nuclear Chemistry


(10 Plenary Forums - 1Event)
Las Vegas, Nevada, USA
November 16-17, 2017

World Congress on Geochemistry

March 01 - 03, 2018

4th European Organic Chemistry Congress

London, UK
March 26 - 28, 2018

3rd International Conference on Polymer Chemistry

Vienna, Austria

8th European Chemistry Congress

June 11-13, 2018 Paris, France

Theoretical and Computational Chemistry Conference Speakers

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