Advances in Computational and Theoretical Chemistry

Name: Advances in Computational and Theoretical Chemistry
Price: 469.30 AUD
Availability: OutOfStock
ISBN: 9798337360591

From Molecules to Materials

Nadia Faska

$586.95 $469.30

Paperback

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English

Engineering Science Reference
04 March 2026

Physical chemistry; Industrial chemistry; Chemical engineering

Recent developments in computational and theoretical approaches transform understandings in chemical behavior at both molecular and materials levels. With the rapid growth of computational power and sophisticated modeling techniques, researchers predict structures, reactivity, and dynamics with accuracy. These approaches enable the exploration of complex chemical phenomena that are often difficult to observe experimentally, from quantum-level interactions in molecules to large-scale simulations of functional materials. Computational and theoretical chemistry accelerate materials discovery, guiding experimental design, and addressing global challenges in energy, environment, and technology. Advances in Computational and Theoretical Chemistry: From Molecules to Materials provides a cutting-edge synthesis of modern computational methods and their chemical applications. It examines essential quantum chemical techniques, AI-driven discovery, and material design while exploring practical chemical problem-solving. This book covers topics such as drug discovery, electronic engineering, and computational design, and is a useful resource for chemists, engineers, academicians, researchers, and scientists.

Edited by: Nadia Faska
Imprint: Engineering Science Reference
Country of Publication: United States
Dimensions: Height: 279mm, Width: 216mm,
ISBN: 9798337360591
Pages: 544
Publication Date: 04 March 2026
Audience: College/higher education , Professional and scholarly , Primary , Undergraduate
Format: Paperback
Publisher's Status: Active

Nadia Faska holds a Ph.D. in Physical Chemistry from Cadi Ayyad University, Marrakech, Morocco, and a European Master’s degree in Theoretical Chemistry and Computational Modeling from the Autonomous University of Madrid, Spain. She is currently an Associate Professor (MCH) at the Faculty of Applied Sciences, Ibn Zohr University, Ait-Melloul, where she conducts research in computational chemistry, material science, and environmental applications. With a career spanning over two decades, Pr. FASKA has made significant contributions to the fields of molecular modeling, solvent effects on NMR spectroscopy, and the development of advanced materials for energy and environmental remediation. Her work combines theoretical approaches (DFT, Ab-initio) with experimental techniques to study intermolecular interactions, corrosion inhibition, and piezoelectric materials. She has published extensively in peer-reviewed journals. Pr. FASKA is an active member of the scientific community, serving as a reviewer for leading chemistry and engineering journals and participating in international conferences as a speaker and committee member. Her interdisciplinary research bridges chemistry, materials science, and artificial intelligence, with a focus on sustainable solutions for industrial and environmental challenges.