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.

Committee Members
Speaker at Catalysis & Reaction Engineering 2026 - Stanislaw Dzwigaj

Stanislaw Dzwigaj

Sorbonne University, France
Speaker at Catalysis & Reaction Engineering 2026 - Thomas J Webster

Thomas J Webster

Brown University, United States
Speaker at Catalysis & Reaction Engineering 2026 - Dai Yeun Jeong

Dai Yeun Jeong

Asia Climate Change Education Center, Korea, Republic of
Speaker at Catalysis & Reaction Engineering 2026 - Sergey Suchkov

Sergey Suchkov

N.D. Zelinskii Institute for Organic Chemistry of the Russian Academy of Sciences, Russian Federation
CAT 2026 Speakers
Speaker at Catalysis & Reaction Engineering 2026 - Jiri Dedecek

Jiri Dedecek

J Heyrovsky Institute of Physical Chemistry , Czech Republic
Speaker at Catalysis & Reaction Engineering 2026 - Vladimir G Chigrinov

Vladimir G Chigrinov

Hong Kong University of Science and Technology, Russian Federation
Speaker at Catalysis & Reaction Engineering 2026 - Osman Adiguzel

Osman Adiguzel

Firat University, Turkey
Speaker at Catalysis & Reaction Engineering 2026 - Uday Som

Uday Som

Shizuoka University, Japan
Speaker at Catalysis & Reaction Engineering 2026 - Rabeharitsara Andry Tahina

Rabeharitsara Andry Tahina

GPCI-ESPA Antananarivo University, Madagascar

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