Nanoporous materials are critical to various fields of research, including ion exchange, separation, catalysis, sensor applications, biological molecular isolation, and purification. In addition, they offer new opportunities in such areas as inclusion chemistry, guest-host synthesis, and molecular manipulations and reactions at the nanoscale. In Structure Property Correlations for Nanoporous Materials, pioneering researcher Abhijit Chatterjee guides experimentalists in their design of nanoporous material using computer simulation methodologies. The book begins with a comprehensive overview of nanoporous materials. It describes their function, examines their fundamental properties, including catalytic effects and adsorption, demonstrates their importance, explores their applications based on theoretical and experimental studies, and highlights the challenges they pose as well as their future prospects. Explores simulation methodologies Next, the book moves on to molecular modeling, placing a heavy focus on Monte Carlo simulation. It examines density functional theory (DFT) and local reactivity descriptors. It also discusses the synthesis of nanoporous materials, the structural characterization of materials in terms of chemical composition, spectroscopic analysis, mechanical stability, and porosity; and the design of new nanoporous materials. Dr. Chatterjee explores projected applications and concludes with a discussion of the catalytic activity of nanoporous materials and reaction mechanisms. The text is supplemented with experiments and simulation instructions to clarify the theoretical analysis. Conveying the significance of the combination of traditional experimental work and molecular simulation, the book enables experimentalists to achieve better results with less effort.

Nanoporous materials are critical to various fields of research, including ion exchange, separation, catalysis, sensor applications, biological molecular isolation, and purification. In addition, they offer new opportunities in such areas as inclusion chemistry, guest-host synthesis, and molecular manipulations and reactions at the nanoscale. In Structure Property Correlations for Nanoporous Materials, pioneering researcher Abhijit Chatterjee guides experimentalists in their design of nanoporous material using computer simulation methodologies. The book begins with a comprehensive overview of nanoporous materials. It describes their function, examines their fundamental properties, including catalytic effects and adsorption, demonstrates their importance, explores their applications based on theoretical and experimental studies, and highlights the challenges they pose as well as their future prospects. Explores simulation methodologies Next, the book moves on to molecular modeling, placing a heavy focus on Monte Carlo simulation. It examines density functional theory (DFT) and local reactivity descriptors. It also discusses the synthesis of nanoporous materials, the structural characterization of materials in terms of chemical composition, spectroscopic analysis, mechanical stability, and porosity; and the design of new nanoporous materials. Dr. Chatterjee explores projected applications and concludes with a discussion of the catalytic activity of nanoporous materials and reaction mechanisms. The text is supplemented with experiments and simulation instructions to clarify the theoretical analysis. Conveying the significance of the combination of traditional experimental work and molecular simulation, the book enables experimentalists to achieve better results with less effort.

This book is a comprehensive guide to new DFT methods that will show the readers how to design a testable and quality product, drive down test cost, improve product quality and yield, and speed up time-to-market and time-to-volume.
. Most up-to-date coverage of design for testability.
. Coverage of industry practices commonly found in commercial DFT tools but not discussed in other books.
. Numerous, practical examples in each chapter illustrating basic VLSI test principles and DFT architectures.
. Lecture slides and exercise solutions for all chapters are now available.
. Instructors are also eligible for downloading PPT slide files and MSWORD solutions files from the manual website.