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Density Functional Theory
Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important co...
Success and Creativity in Scientific Research
Long-term success in scientific research requires skills that go well beyond technical prowess. Success and Creativity in Scientific Research: Amaze Your Friends and Surprise Yourself is based on a popular series of lectures the author has given to PhD students, postdoctoral researchers, and faculty at the Georgia Institute of Technology. Both entertaining and thought-provoking, this essential work supports advanced students and early career professionals across a variety of technical disciplines to thrive as successful and innovative researchers. Features: Discusses habits needed to find deep satisfaction in research, systematic and proven methods for generating good ideas, strategies for e...
Eat This Poem
A literary cookbook that celebrates food and poetry, two of life's essential ingredients. In the same way that salt seasons ingredients to bring out their flavors, poetry seasons our lives; when celebrated together, our everyday moments and meals are richer and more meaningful. The twenty-five inspiring poems in this book—from such poets as Marge Piercy, Louise Glück, Mark Strand, Mary Oliver, Billy Collins, Jane Hirshfield—are accompanied by seventy-five recipes that bring the richness of words to life in our kitchen, on our plate, and through our palate. Eat This Poem opens us up to fresh ways of accessing poetry and lends new meaning to the foods we cook.
Dirty Secret
A fascinating look at compulsive hoarding by a woman whose mother suffers from the disease. To be the child of a compulsive hoarder is to live in a permanent state of unease. Because if my mother is one of those crazy junk-house people, then what does that make me? When her divorced mother was diagnosed with cancer, New York City writer Jessie Sholl returned to her hometown of Minneapolis to help her prepare for her upcoming surgery and get her affairs in order. While a daunting task for any adult dealing with an aging parent, it’s compounded for Sholl by one lifelong, complex, and confounding truth: her mother is a compulsive hoarder. Dirty Secret is a daughter’s powerful memoir of conf...
Materials Modelling Using Density Functional Theory
The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.
Adsorption and Diffusion
"Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.
Time-Dependent Density-Functional Theory
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Molecular Simulations
Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations This book introduces the fundamentals of molecular simulations for a broad, practice-oriented audience and presents a thorough overview of the underlying concepts. It covers classical mechanics for many-molecule systems as well as force-field models in classical molecular dynamics; introduces probability concepts and statistical mechanics; and analyzes numerous simulation methods, techniques, and applications. Molecular Simulations: Fundamentals and Practice starts by covering Newton's equations, which form the basis of classical mechanics, then continues o...
A Research Agenda for Transforming Separation Science
Separation science plays a critical role in maintaining our standard of living and quality of life. Many industrial processes and general necessities such as chemicals, medicines, clean water, safe food, and energy sources rely on chemical separations. However, the process of chemical separations is often overlooked during product development and this has led to inefficiency, unnecessary waste, and lack of consensus among chemists and engineers. A reevaluation of system design, establishment of standards, and an increased focus on the advancement of separation science are imperative in supporting increased efficiency, continued U.S. manufacturing competitiveness, and public welfare. A Resear...
A Chemist's Guide to Valence Bond Theory
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
