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
Stanislaw Dzwigaj
Sorbonne University, France
Dai Yeun Jeong
Asia Climate Change Education Center, Korea, Republic of
Sergey Suchkov
N.D. Zelinskii Institute for Organic Chemistry of the Russian Academy of Sciences, Russian Federation
Enrico Paris
CREA-IT & DIAEE, Italy CAT 2026 Speakers
Rabeharitsara Andry Tahina
GPCI-ESPA Antananarivo University, Madagascar
Jiri Dedecek
J Heyrovsky Institute of Physical Chemistry , Czech Republic
Uday Som
Research and Development Engineer, Japan
Vladimir G Chigrinov
Hong Kong University of Science and Technology, Russian Federation
Osman Adiguzel
Firat University, TurkeySubmit your abstract Today
Title : Distant binuclear vanadium V(II) cationic sites in zeolites and their reactivity
Jiri Dedecek, J Heyrovsky Institute of Physical Chemistry , Czech Republic
Title : Advanced nanostructures for carbon neutrality and sustainable H₂ energy
Tokeer Ahmad, Jamia Millia Islamia, India
Title : Personalized and Precision Medicine (PPM) as a unique healthcare model via bi-odesign, bio- and chemical engineering, translational applications, and upgraded business modeling to secure the human healthcare and biosafety
Sergey Suchkov, N.D. Zelinskii Institute for Organic Chemistry of the Russian Academy of Sciences, Russian Federation
Title : Antibody-proteases as a generation of unique biomarkers, biocatalysts, potential targets and translational tools towards nanodesign-driven biochemical engineering and precision medical practice
Sergey Suchkov, N.D. Zelinskii Institute for Organic Chemistry of the Russian Academy of Sciences, Russian Federation
Title : Dimethyl ether synthesis from syngas over Cu-Zn/Al2O3 catalysts prepared using the Sol-Gel method
Uday Som, Research and Development Engineer, Japan
Title : Influence of various catalysts on H₂ enhancement and CO2 capture during syngas upgrading
Enrico Paris, CREA-IT & DIAEE, Italy
Title : Photoaligned azodye nanolayers : New nanotechnology for liquid crystal devices
Vladimir G Chigrinov, Hong Kong University of Science and Technology, Russian Federation
Title : Application of vanadium, tantalum and chromium single-site zeolite catalysts in catalysis
Stanislaw Dzwigaj, Sorbonne University, France
Title : Advances in heterogeneous catalysis for green conversion of propene to aldehydes and alcohols
Ram Sambhar Shukla, CSIR-Central Salt and Marine Chemicals Research Institute (CSMCRI), India
Title : Oxidation of methane to methanol over pairs of transition metal ions stabilized in the zeolite matrices
Jiri Dedecek, J Heyrovsky Institute of Physical Chemistry , Czech Republic