Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches.
The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Møller-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations.
Although we associate the Third Reich above all with suffering, pain and fear, pleasure played a central role in its social and cultural dynamics. This book explores the relationship between the rationing of pleasures as a means of political stabilization and the pressure on the Nazi regime to cater to popular cultural expectations.
This is the first study of mass media in Germany from a social and cultural-historical perspective. Beyond the conventional focus on organizational structures or aesthetic content, it investigates the impact the media has on German society under varying political systems, and how the media is shaped by wider social, political and cultural context.
This collection examines early modern women's contribution to the culturally central mode of complaint. Complaint has largely been understood as male-authored, yet, as this collection shows, early modern women used complaint across a surprising variety of forms from the early-Tudor period to the late-seventeenth century. They were some of the mode's first writers, most influential patrons, and most innovative contributors. Together, these new essays illuminate early modern women's participation in one of the most powerful rhetorical modes in the English Renaissance, one which gave voice to political, religious and erotic protest and loss across a diverse range of texts.
This volume interrogates new texts (closet drama, song, manuscript-based religious and political lyrics), new authors (Dorothy Shirley, Scots satirical writers, Hester Pulter, Mary Rowlandson), and new versions of complaint (biblical, satirical, legal, and vernacular). Its essays pay specific attention to politics, form, and transmission from complaint's first circulation up to recent digital representations of its texts. Bringing together an international group of experts in early modern women's writing and in complaint literature more broadly, this collection explores women's role in the formation of the mode and in doing so reconfigures our understanding of complaint in Renaissance culture and thought.
With contributions from an international group of expert authors, this book includes the latest trends in tailoring interfacial properties electrochemically. The chapters cover various organic and inorganic compounds, with applications ranging from electrochemistry to nanotechnology and biology.
Of interest to physical, surface and electrochemists, materials scientists and physicists.
This ninth volume in the series concentrates on in situ spectroscopic methods and combines a balanced mixture of theory and applications, making it highly readable for chemists and physicists, as well as for materials scientists and engineers. As with the previous volumes, all the chapters continue the high standards of this series, containing numerous references to further reading and the original literature, for easy access to this new field. The editors have succeeded in selecting highly topical areas of research and in presenting authors who are leaders in their fields, covering such diverse topics as diffraction studies of the electrode-solution interface, thin organic films at electrode surfaces, linear and non-linear spectroscopy as well as sum frequency generation studies of the electrified solid-solution interface, plus quantitative SNIFTIRS and PM-IRRAS. Special attention is paid to recent advances and developments, which are critically and thoroughly discussed.
The result is a compelling set of reviews, serving equally well as an excellent and up-to-date source of information for experienced researchers in the field, as well as as an introduction for newcomers.
An international group of leading scientists from the field has contributed to the 12th volume in this series, covering a range of different types of solar cells and including a critical comparison of the different techniques available for manufacturing the semiconductors needed.
The result is an expert insight the central questions surrounding photovoltaic materials and systems, reflecting the latest developments in this hot and timely green topic.
In this topical volume, the authors provide in-depth coverage of the vital relationship between electrochemistry and the morphology of thin films and surfaces. Clearly divided into four major sections, the book covers nanoscale dielectric films for electronic devices, superconformal film growth, electrocatalytic properties of transition metal macrocycles, and the use of synchrotron techniques in electrochemistry. All the chapters offer a concise introduction to the relevant topic, as well as supplying numerous references for easy access to further reading and the original literature.
The result is must-have reading for electrochemists, physical and surface chemists and physicists, as well as materials scientists and engineers active in the field of spectroscopic methods in electrochemistry.
While presenting the latest scientific research on the major pathogens associated with meat, poultry, produce, and other foods, Pre-Harvest and Post-Harvest Food Safety: Contemporary Issues and Future Directions goes beyond other professional reference books by identifying the research needed to assure food safety in the future. The editors and authors not only review the current, cutting-edge literature in each of their areas, but provide insights and forward thinking into the development of new and innovative approaches and research strategies. Scientists and researchers from academia, government, and industry have collaborated to examine the high-priority food safety areas recognized by the federal government: pathogen/host interactions; ecology, distribution and spread of foodborne hazards; antibiotic resistance; verification tests; decontamination and prevention strategies; and risk analysis. A worthy new edition to the IFT Press series of food science and technology titles, Pre-Harvest and Post-Harvest Food Safety describes what we now know in food safety and provides a framework and focus for future research to improve diagnostic capabilities and intervention strategies for enteropathogens.