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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, Chemical Engineering & Technology 2025 - Stanislaw Dzwigaj

Stanislaw Dzwigaj

Sorbonne University, France
Speaker at Catalysis, Chemical Engineering & Technology 2025 - Thomas J Webster

Thomas J Webster

Interstellar Therapeutics, United States
Speaker at Catalysis, Chemical Engineering & Technology 2025 - Dai Yeun Jeong

Dai Yeun Jeong

Asia Climate Change Education Center, Korea, Republic of
Speaker at Catalysis, Chemical Engineering & Technology 2025 - Vladislav Sadykov

Vladislav Sadykov

Boreskov Institute of Catalysis, Russian Federation

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