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The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Featuring contributions from a diverse set of experts, this thought-provoking book offers a visionary introduction to the computational turn in law and the resulting emergence of the computational legal studies field. It explores how computational data creation, collection, and analysis techniques are transforming the way in which we comprehend and study the law, and the implications that this has for the future of legal studies.
"In 1946 John von Neumann stated that science is stagnant along the entire front of complex problems, proposing the use of largescale computing machines to overcome this stagnation. In other words, Neumann advocated replacing analytical methods with numerical ones. The invention of the computer in the 1940s allowed scientists to realise numerical simulations of increasingly complex problems like weather forecasting, and climate and molecular modelling. Today, computers are widely used as computational laboratories, shifting science toward the computational sciences. By replacing analytical methods with numerical ones, they have expanded theory and experimentation by simulation. During the last decades hundreds of computational departments have been established all over the world and countless computer-based simulations have been conducted. This volume explores the epoch-making influence of automatic computing machines on science, in particular as simulation tools."--Back cover.
Numerical Methods for Roots of Polynomials - Part II along with Part I (9780444527295) covers most of the traditional methods for polynomial root-finding such as interpolation and methods due to Graeffe, Laguerre, and Jenkins and Traub. It includes many other methods and topics as well and has a chapter devoted to certain modern virtually optimal methods. Additionally, there are pointers to robust and efficient programs. This book is invaluable to anyone doing research in polynomial roots, or teaching a graduate course on that topic. - First comprehensive treatment of Root-Finding in several decades with a description of high-grade software and where it can be downloaded - Offers a long chapter on matrix methods and includes Parallel methods and errors where appropriate - Proves invaluable for research or graduate course
Computational Studies of Human Motion: Part 1, Tracking and Motion Synthesis reviews methods for kinematic tracking of the human body in video. The review confines itself to the earlier stages of motion, focusing on tracking and motion synthesis. There is an extensive discussion of open issues. The authors identify some puzzling phenomena associated with the choice of human motion representation --- joint angles vs. joint positions. The review concludes with a quick guide to resources and an extensive bibliography of over 400 references. Computational Studies of Human Motion: Part 1, Tracking and Motion Synthesis is an invaluable reference for those engaged in computational geometry, computer graphics, image processing, imaging in general, and robotic.
A review of recent computational (deep learning) approaches to understanding news and nonfiction stories.
This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with different scientific backgrounds - biologists, chemists, and physicists.The rapid development of molecular biology in recent years has been mirrored by the rapid development of computer hardware and software. This has resulted in the development of sophisticated computational techniques and a wide range of computer simulations involving such methods. Among the areas where progress has been profound is in the modeling of DNA structure and function, the understanding at a molecular level of the role of solvents in biological phenomena, the calculation of the properties of molecular associations in aqueous solutions, computationally assisted drug design, the prediction of protein structure, and protein - DNA recognition, to mention just a few examples. This volume comprises a balanced blend of contributions covering such topics. They reveal the details of computational approaches designed for biomoleucles and provide extensive illustrations of current applications of modern techniques.A broad group of readers ranging from beginning graduate students to molecular biology professions should be able to find useful contributions in this selection of reviews.
This text is the published version of many ofthe talks presented at two symposiums held as part of the Southeast Regional Meeting of the American Chemical Society (SERMACS) in Knoxville, TN in October, 1999. The Symposiums, entitled Solution Thermodynamics of Polymers and Computational Polymer Science and Nanotechnology, provided outlets to present and discuss problems of current interest to polymer scientists. It was, thus, decided to publish both proceedings in a single volume. The first part of this collection contains printed versions of six of the ten talks presented at the Symposium on Solution Thermodynamics of Polymers organized by Yuri B. Melnichenko and W. Alexander Van Hook. The two sessions, further described below, stimulated interesting and provocative discussions. Although not every author chose to contribute to the proceedings volume, the papers that are included faithfully represent the scope and quality of the symposium. The remaining two sections are based on the symposium on Computational Polymer Science and Nanotechnology organized by Mark D. Dadmun, Bobby G. Sumpter, and Don W. Noid. A diverse and distinguished group of polymer and materials scientists, biochemists, chemists and physicists met to discuss recent research in the broad field of computational polymer science and nanotechnology. The two-day oral session was also complemented by a number of poster presentations. The first article of this section is on the important subject of polymer blends. M. D.
Highlights some computational approaches to the study of new materials that include fullerenes, fractal clusters, charge transfer polymers, incommensurate crystals, and semiconductor nanostructures.
Comprising specially selected papers on the subject of Computational Methods and Experimental Measurements, this book includes research from scientists, researchers and specialists who perform experiments, develop computer codes and carry out measurements on prototypes. Improvements relating to computational methods have generated an ever-increasing expansion of computational simulations that permeate all fields of science and technology. Validating the results of these improvements can be achieved by carrying out committed and accurate experiments, which have undertaken continuous development. Current experimental techniques have become more complex and sophisticated so that they require the intensive use of computers, both for running experiments as well as acquiring and processing the resulting data. This title explores new experimental and computational methods and covers various topics such as: Computer-aided Models; Image Analysis Applications; Noise Filtration of Shockwave Propagation; Finite Element Simulations.