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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...
Computational Catalysis
This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
Ab initio Calculation Tutorial
This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the reader’s time, and the book describes how the essential components are combined to create the practical applications based on the idea of modeling practical problems of materials. The book carefully explains how to prepare the platform to run the tutorials assisted by free software. This textbook is useful for students in experimental laboratories, for industrial researchers, and for those not majoring in theoretical studies but learning individually.
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...
Introduction to Computational Chemistry
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Polk City Directory
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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.
Thermodynamics and an Introduction to Thermostatistics
The only text to cover both thermodynamic and statistical mechanics--allowing students to fully master thermodynamics at the macroscopic level. Presents essential ideas on critical phenomena developed over the last decade in simple, qualitative terms. This new edition maintains the simple structure of the first and puts new emphasis on pedagogical considerations. Thermostatistics is incorporated into the text without eclipsing macroscopic thermodynamics, and is integrated into the conceptual framework of physical theory.
Asha
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Statement of Disbursements of the House
Covers receipts and expenditures of appropriations and other funds.
