Theoretical and computational chemistry
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry. The term computational chemistry is usually used when a mathematical method is sufficiently well developed that it can be automated for implementation on a computer. Computational chemistry is the application of chemical, mathematical and computing skills to the solution of interesting chemical problems. It uses computers to generate information such as properties of molecules or simulated experimental results. Very few aspects of chemistry can be computed exactly, but almost every aspect of chemistry has been described in a qualitative or approximate quantitative computational scheme.
- Theoretical Chemical Kinetics
- Molecular Modelling
- Molecular Mechanics
- Cheminformatics
- Molecular Dynamics
- Mathematical Chemistry
- Theoretical Chemistry Advances and Perspectives
- Chemical Dynamics
- Quantum Mechanics
- Theoretical Experimental Chemistry
Related Conference of Theoretical and computational chemistry
December 11-12, 2025
4th World Congress on Plasma Chemistry and Plasma Processing
Amsterdam, Netherlands
December 17-18, 2025
13th International Conference on Catalysis and Chemical Engineering
Aix-en-Provence, France
April 20-21, 2026
13th International Conference and Exhibition on Chromatography and Analytical Techniques
Rome, Italy
Theoretical and computational chemistry Conference Speakers
Recommended Sessions
- Analytical & Bioanalytical Chemistry
- Behavioral Research in Biochemistry
- Biocomputing and Big Data in Chemical Research
- Catalysis and high pressure chemistry
- Chemistry Education
- Chemistry of proteins and lipids
- Chemistry of surfaces and interfaces
- Cluster Chemistry
- Electrochemistry
- Environmental & Green Chemistry
- Geochemistry
- Inorganic Chemistry
- Macrocyclic and heterocyclic chemistry
- Materials Chemistry
- Nanochemistry
- Organic Chemistry
- Organometallic chemistry
- Pharmaceutical(Medicinal) Chemistry
- Physical Chemistry
- Polymer Chemistry
- Supramolecular chemistry
- Theoretical and computational chemistry
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