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 - Dai Yeun Jeong

Dai Yeun Jeong

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

Enrico Paris

CREA-IT & DIAEE, Italy
Speaker at Catalysis & Reaction Engineering 2026 - Hanna Kierzkowska Pawlak

Hanna Kierzkowska Pawlak

Lodz University of Technology, Poland
CAT 2026 Speakers
Speaker at Catalysis & Reaction Engineering 2026 - Ling Yin

Ling Yin

Cornell University, United States
Speaker at Catalysis & Reaction Engineering 2026 - Tsitsishvili Vladimer

Tsitsishvili Vladimer

Petre Melikishvili Institute of Physical and Organic Chemistry at the Tbilisi State University, Georgia
Speaker at Catalysis & Reaction Engineering 2026 - Rafia Ahmad

Rafia Ahmad

King Abdullah University of Science and Technology, Saudi Arabia
Speaker at Catalysis & Reaction Engineering 2026 - Eun Han Lee

Eun Han Lee

Korea Institute of Energy Research, Korea, Republic of
Speaker at Catalysis & Reaction Engineering 2026 - Neul Ha

Neul Ha

Sungkyunkwan University, Korea, Republic of
Speaker at Catalysis & Reaction Engineering 2026 - Shailza Sharma

Shailza Sharma

RMIT University, Australia

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