Download or read book Trends and Perspectives in Modern Computational Science written by and published by . This book was released on 2006 with total page 591 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Trends and Perspectives in Modern Computational Science written by George Maroulis and published by CRC Press. This book was released on 2006-10-27 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.
Download or read book Recent Trends in Computational Science and Engineering written by Serdar Celebi and published by BoD – Books on Demand. This book was released on 2018-05-30 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational science and engineering (CSE) is a broad multidisciplinary and integrative area including a variety of applications in science, engineering, numerical methods, applied mathematics, and computer science disciplines. The book covers a collection of different types of applications and visions to various disciplinary key aspects, which comprises both problem-driven and methodology-driven approaches at the same time. These selected applications are: Computational and information technologies for numerical models and large unstructured data processing Evolution of matrix computations and new concepts in computing Inverse problems covering both classical and newer approaches Integro-differential scheme (IDS) that combines finite volume and finite difference methods Smart city wireless networks Signal processing methods
Download or read book Current Trends in Theoretical Computer Science written by Gheorghe P?un and published by World Scientific. This book was released on 2004 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: contents: vol 1 : Algorithms; Computational Complexity; Distributed Computing; Natural Computing.
Download or read book Molecular Spectroscopy written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-04-26 with total page 833 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Download or read book Handbook of Less Common Nanostructures written by Boris I. Kharisov and published by CRC Press. This book was released on 2012-03-19 with total page 867 pages. Available in PDF, EPUB and Kindle. Book excerpt: As nanotechnology has developed over the last two decades, some nanostructures, such as nanotubes, nanowires, and nanoparticles, have become very popular. However, recent research has led to the discovery of other, less-common nanoforms, which often serve as building blocks for more complex structures. In an effort to organize the field, the Handbook of Less-Common Nanostructures presents an informal classification based mainly on the less-common nanostructures. A small nanotechnological encyclopedia, this book: Describes a range of little-known nanostructures Offers a unifying vision of the synthesis of nanostructures and the generalization of rare nanoforms Includes a CD-ROM with color versions of more than 100 nanostructures Explores the fabrication of rare nanostructures, including modern physical, chemical, and biological synthesis techniques The Handbook of Less-Common Nanostructures discusses a classification system not directly related to the dimensionality and chemical composition of nanostructure-forming compounds or composite. Instead, it is based mainly on the less-common nanostructures. Possessing unusual shapes and high surface areas, these structures are potentially very useful for catalytic, medical, electronic, and many other applications.
Download or read book Gold Chemistry written by Fabian Mohr and published by John Wiley & Sons. This book was released on 2009-04-20 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.
Download or read book Applied Theoretical Organic Chemistry written by Tantillo Dean J and published by World Scientific. This book was released on 2018-03-07 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice. Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Contents: Modeling Organic Reactions — General Approaches, Caveats, and Concerns (Stephanie R Hare, Brandi M Hudson and Dean J Tantillo)Overview of Computational Methods for Organic Chemists (Edyta M Greer and Kitae Kwon)Brief History of Applied Theoretical Organic Chemistry (Steven M Bachrach)Solvation (Carlos Silva Lopez and Olalla Nieto Faza)Conformational Searching for Complex, Flexible Molecules (Alexander C Brueckner, O Maduka Ogba, Kevin M Snyder, H Camille Richardson and Paul Ha-Yeon Cheong)NMR Prediction (Kelvin E Jackson and Robert S Paton)Energy Decomposition Analysis and Related Methods (Israel Fernández)Systems with Extensive Delocalization (L Zoppi and K K Baldridge)Modern Treatments of Aromaticity (Judy I-Chia Wu)Weak Intermolecular Interactions (Rajat Maji and Steven E Wheeler)Predicting Reaction Pathways from Reactants (Romain Ramozzi, W M C Sameera and Keiji Morokuma)Unusual Potential Energy Surfaces and Nonstatistical Dynamic Effects (Charles Doubleday)The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions (K N Houk, Fang Liu, Yun-Fang Yang and Xin Hong)Spreadsheet-Based Computational Predictions of Isotope Effects (O Maduka Ogba, John D Thoburn and Daniel J O'Leary)Stereoelectronic Effects: Analysis by Computational and Theoretical Methods (Gabriel dos Passos Gomes and Igor Alabugin)pKa Prediction (Yijie Niu and Jeehiun K Lee)Issues Particular to Organometallic Reactions (Gang Lu, Huiling Shao, Humair Omer and Peng Liu)Computationally Modeling Nonadiabatic Dynamics and Surface Crossings in Organic Photoreactions (Arthur Winter)Challenges in Predicting Stereoselectivity (Elizabeth H Krenske) Readership: Practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Keywords: Organic Chemistry;Theoretical Chemistry;Stereoselectivity;NMR Prediction;pKa Prediction;Organic PhotoreactionsReview: Key Features: A particular strength is the mix of theoretical background, informative examples and practical advice providedChapters are authored by many of world leaders in the field of applied theoretical chemistry
Download or read book Molecular Spectroscopy 2 Volume Set written by Yukihiro Ozaki and published by John Wiley & Sons. This book was released on 2019-09-03 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely creates a strong bridge between molecular spectroscopy and quantum chemistry This two-volume book consists of many reviews reporting new applications of quantum chemistry to molecular spectroscopy (Raman, infrared, near-infrared, terahertz, far-ultraviolet, etc.). It contains brief introductions to quantum chemistry for spectroscopists, and to the recent progress on molecular spectroscopy for quantum chemists. Molecular Spectroscopy: A Quantum Chemistry Approach examines the recent progress made in the field of molecular spectroscopy; the state of the art of quantum chemistry for molecular spectroscopy; and more. It offers multiple chapters covering the application of quantum chemistry to: visible absorption and fluorescence, Raman spectroscopy, infrared spectroscopy, near-infrared spectroscopy, terahertz spectroscopy, and far-ultraviolet spectroscopy. It presents readers with hydrogen bonding studies by vibrational spectroscopy and quantum chemistry, as well as vibrational spectroscopy and quantum chemistry studies on both biological systems and nano science. The book also looks at vibrational anharmonicity and overtones, and nonlinear and time-resolved spectroscopy. -Comprehensively covers existing and recent applications of quantum chemistry to molecular spectroscopy -Introduces the quantum chemistry for the field of spectroscopy and the advancements being made on molecular spectroscopy for quantum chemistry -Edited by world leading experts who have long standing, extensive experience and international standing in the field Molecular Spectroscopy: A Quantum Chemistry Approach is an ideal book for analytical chemists, theoretical chemists, chemists, biochemists, materials scientists, biologists, and physicists interested in the subject.
Download or read book Continuum Solvation Models in Chemical Physics written by Benedetta Mennucci and published by John Wiley & Sons. This book was released on 2008-02-28 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.
Download or read book Computational Methods in Modern Science and Engineering written by George Maroulis and published by American Institute of Physics. This book was released on 2009-04-03 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of ICCMSE 2008 is to bring together computational scientists and engineers from several disciplines in order to share methods, methodologies and ideas. The potential readers are all the scientists with interest in: Computational Mathematics, Theoretical Physics, Computational Physics, Theoretical Chemistry, Computational Chemistry, Mathematical Chemistry, Computational Engineering, Computational Mechanics, Computational Biology and Medicine, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modelling and Simulation of Complex Systems, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, and Computer Science.
Download or read book Photoinduced Phenomena in Nucleic Acids II written by Mario Barbatti and published by Springer. This book was released on 2014-12-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Download or read book Current Trends in Scientific Computing written by Zhangxin Chen and published by American Mathematical Soc.. This book was released on 2003 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains 36 research papers written by prominent researchers. The papers are based on a large satellite conference on scientific computing held at the International Congress of Mathematics (ICM) in Xi'an, China. Topics covered include a variety of subjects in modern scientific computing and its applications, such as numerical discretization methods, linear solvers, parallel computing, high performance computing, and applications to solid and fluid mechanics, energy, environment, and semiconductors. The book will serve as an excellent reference work for graduate students and researchers working with scientific computing for problems in science and engineering.
Download or read book Computational Methods in Science and Engineering written by George Maroulis and published by American Inst. of Physics. This book was released on 2007-12-14 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: All papers have been peer-reviewed. The aim of ICCMSE 2007 is to bring together computational scientists and engineers from several disciplines in order to share methods, methodologies and ideas. The potential readers of these proceedings are all the scientists with interest in the following fields: Computational Mathematics, Theoretical Physics, Computational Physics, Theoretical Chemistry, Computational Chemistry, Mathematical Chemistry, Computational Engineering, Computational Mechanics, Computational Biology and Medicine, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modeling and Simulation of Complex Systems, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, and Computer Science.
Download or read book Computational Science and Its Applications ICCSA 2023 Workshops written by Osvaldo Gervasi and published by Springer Nature. This book was released on 2023-06-28 with total page 698 pages. Available in PDF, EPUB and Kindle. Book excerpt: This nine-volume set LNCS 14104 – 14112 constitutes the refereed workshop proceedings of the 23rd International Conference on Computational Science and Its Applications, ICCSA 2023, held at Athens, Greece, during July 3–6, 2023. The 350 full papers and 29 short papers and 2 PHD showcase papers included in this volume were carefully reviewed and selected from a total of 876 submissions. These nine-volumes includes the proceedings of the following workshops: Advances in Artificial Intelligence Learning Technologies: Blended Learning, STEM, Computational Thinking and Coding (AAILT 2023); Advanced Processes of Mathematics and Computing Models in Complex Computational Systems (ACMC 2023); Artificial Intelligence supported Medical data examination (AIM 2023); Advanced and Innovative web Apps (AIWA 2023); Assessing Urban Sustainability (ASUS 2023); Advanced Data Science Techniques with applications in Industry and Environmental Sustainability (ATELIERS 2023); Advances in Web Based Learning (AWBL 2023); Blockchain and Distributed Ledgers: Technologies and Applications (BDLTA 2023); Bio and Neuro inspired Computing and Applications (BIONCA 2023); Choices and Actions for Human Scale Cities: Decision Support Systems (CAHSC-DSS 2023); and Computational and Applied Mathematics (CAM 2023).
Download or read book Computer Science written by National Research Council and published by National Academies Press. This book was released on 2004-10-06 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Science: Reflections on the Field, Reflections from the Field provides a concise characterization of key ideas that lie at the core of computer science (CS) research. The book offers a description of CS research recognizing the richness and diversity of the field. It brings together two dozen essays on diverse aspects of CS research, their motivation and results. By describing in accessible form computer science's intellectual character, and by conveying a sense of its vibrancy through a set of examples, the book aims to prepare readers for what the future might hold and help to inspire CS researchers in its creation.
Download or read book Carbon Allotropes Metal Complex Chemistry Properties and Applications written by Boris Ildusovich Kharisov and published by Springer. This book was released on 2019-01-02 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a detailed description of metal-complex functionalized carbon allotrope forms, including classic (such as graphite), rare (such as M- or T-carbon), and nanoforms (such as carbon nanotubes, nanodiamonds, etc.). Filling a void in the nanotechnology literature, the book presents chapters generalizing the synthesis, structure, properties, and applications of all known carbon allotropes. Metal-complex composites of carbons are described, along with several examples of their preparation and characterization, soluble metal-complex carbon composites, cost-benefit data, metal complexes as precursors of carbon allotropes, and applications. A lab manual on the synthesis and characterization of carbon allotropes and their metal-complex composites is included. Provides a complete description of all carbon allotropes, both classic and rare, as well as carbon nanostructures and their metal-complex composites; Contains a laboratory manual of experiments on the synthesis and characterization of metal-complex carbon composites; Discusses applications in diverse fields, such as catalysis on supporting materials, water treatment, sensors, drug delivery, and devices.
