Artificial Intelligence in Catalysis Experimental and Computational Methodologies

Aimed at enhancing catalyst design and optimizing chemical processes by using machine learning techniques, the book is a must-have for researchers in academia and industry interested in developing new catalysts, improving organic synthesis, and minimizing waste and energy use.

Info autore

Valentine P. Ananikov is a Professor and Laboratory Head at the Zelinsky Institute of Organic Chemistry at the Russian Academy of Sciences in Moscow, Russia. His research interests are focused on the development of new concepts in transition metal and nanoparticle catalysis, sustainable organic synthesis, and new methodologies for mechanistic studies of complex chemical transformations.
Mikhail V. Polynski is a Senior Research Fellow at the National University of Singapore. His current research focuses on the automation of computational chemistry, machine learning for chemical applications, Born-Oppenheimer molecular dynamics modeling, and the theory of catalysis.

Riassunto

Aimed at enhancing catalyst design and optimizing chemical processes by using machine learning techniques, the book is a must-have for researchers in academia and industry interested in developing new catalysts, improving organic synthesis, and minimizing waste and energy use.

Dettagli sul prodotto

• Con la collaborazione di: Valentine P Ananikov (Editore), Mikhail V. Polynski (Editore), V Polynski (Editore), Valentine P. Ananikov (Editore)
• Editore: Wiley-VCH
• Contenuto: Libro
• Forma del prodotto: Copertina rigida
• Data pubblicazione: 01.09.2025
• Categoria: Scienze naturali, medicina, informatica, tecnica > Chimica
• EAN: 9783527353859
• ISBN: 978-3-527-35385-9
• Numero di pagine: 272
• Dimensioni (della confezione): 17.6 x 1.6 x 1.5 cm
• Peso (della confezione): 666 g
• Categorie: Chemie, Physikalische Chemie, Informatik, Künstliche Intelligenz, KI, machine learning, Artificial Intelligence, ORGANIC SYNTHESIS, Intelligenz / Künstliche Intelligenz, Künstliche Intelligenz - AI, Materialwissenschaft, TECHNOLOGY & ENGINEERING / Materials Science, Physik / Chemie, Chemie (physikalisch), Katalyse - Katalysator - Biokatalyse - Biokatalysator, Katalyse, computer science, chemistry, Catalysis, Asymmetric Catalysis, Heterogeneous Catalysis, Künstliche Intelligenz (KI), Industrial Chemistry, process optimization, Technische u. Industrielle Chemie, Computational Chemistry u. Molecular Modeling, Computational Chemistry & Molecular Modeling, Quantum Chemistry, Cheminformatics, chemical reaction monitoring, catalyst discovery, catalyst characterization, computational catalysis, reaction predictions