Computational Catalysis
The field of computational catalysis has survived in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst uniquely from the computer. While this goal has not been reached yet, the 21st Century has already seen key progressions in capturing the multiple composite phenomena that are critical to catalyst behavior under reaction situations.
Computational chemistry is a part of chemistry that employs computer simulation to support in solving chemical problems. It uses techniques of theoretical chemistry, incorporated into effective computer programs, to calculate the structures and attributes of molecules and solids.
Related Conference of Computational Catalysis
November 23-24, 2026
13th International Conference and Exhibition on Chromatography and Analytical Techniques
Paris, France
November 26-27, 2026
6th International Conference on Petrochemistry and Natural Gas
Amsterdam, Netherlands
January 28-29, 2027
4thInternational Conference on Drug Discovery and Development
Singapore City, Singapore
March 22-23, 2027
15th Internationl Conference on Forensic Chemistry and Biochemistry
Zurich, Switzerland
April 08-09, 2027
26th International Conference on Medicinal Chemistry, Drug Discovery & Drug Delivery
Vienna, Austria
Computational Catalysis Conference Speakers
Recommended Sessions
- Autocatalysis
- Biocatalysts
- Biochemical Engineering
- Catalysis and Energy
- Catalysis and Pyrolysis
- Catalysis and Zeolites
- Catalysis for Chemical Synthesis
- Catalysis for Renewable Sources
- Catalysis in Industry
- Catalysis in oil and gas
- Catalytic Materials
- Catalytic Mechanisms
- Chemical Kinetics
- Chemical reaction engineering
- Computational Catalysis
- Environmental Catalysis
- Enzymes and Biocatalysts
- Fluid dynamics & its Phenomena
- Material Sciences
- Molecular Catalysis
- Nanocatalysis
- Organocatalysis
- Organometallics Chemistry
- Organometallics, Organo-catalysis and Bioinorganic Chemistry
- Petrochemical Engineering
- Photo catalysis
- Photochemistry, Photobiology, and Electrochemistry
- Physical Chemistry
- Plasma Catalysis
- Polymer Engineering
- Quantum Chemistry
- Reaction Engineering
- Separation Processes
- Surface and Colloidal Phenomena
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