Download or read book Quantum Simulations of Materials and Biological Systems written by Jun Zeng and published by Springer Science & Business Media. This book was released on 2012-07-26 with total page 203 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems. The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry of phytochromes are detailed. In addition, the book reviews the recent developments of methods for protein design and engineering, as well as ligand-based drug design. Some insightful information about the 2011 International Symposium on Computational Sciences is also provided. Quantum Simulations of Materials and Biological Systems is aimed at faculties and researchers in the fields of computational physics, chemistry and biology, as well as at the biotech and pharmaceutical industries.
Download or read book Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and published by World Scientific. This book was released on 2021-08-23 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).
Download or read book Phonon Thermal Transport in Silicon Based Nanomaterials written by Hai-Peng Li and published by Springer. This book was released on 2018-09-08 with total page 94 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this Brief, authors introduce the advance in theoretical and experimental techniques for determining the thermal conductivity in nanomaterials, and focus on review of their recent theoretical studies on the thermal properties of silicon–based nanomaterials, such as zero–dimensional silicon nanoclusters, one–dimensional silicon nanowires, and graphenelike two–dimensional silicene. The specific subject matters covered include: size effect of thermal stability and phonon thermal transport in spherical silicon nanoclusters, surface effects of phonon thermal transport in silicon nanowires, and defects effects of phonon thermal transport in silicene. The results obtained are supplemented by numerical calculations, presented as tables and figures. The potential applications of these findings in nanoelectrics and thermoelectric energy conversion are also discussed. In this regard, this Brief represents an authoritative, systematic, and detailed description of the current status of phonon thermal transport in silicon–based nanomaterials. This Brief should be a highly valuable reference for young scientists and postgraduate students active in the fields of nanoscale thermal transport and silicon-based nanomaterials.
Download or read book Combinatorial Optimization Problems Quantum Computing written by N.B. Singh and published by N.B. Singh. This book was released on with total page 775 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Combinatorial Optimization Problems: Quantum Computing" is an introductory guide that bridges the gap between combinatorial optimization and quantum computing for absolute beginners. This book unpacks fundamental concepts in optimization and explores how quantum computing can revolutionize the way we approach complex problems. Through clear explanations and relatable examples, readers will gain an understanding of both fields without needing any prior knowledge of quantum mechanics or advanced mathematics. Ideal for those curious about the future of technology, this book serves as a stepping stone into the fascinating world of quantum algorithms and their applications in optimization.
Download or read book Computational Modeling of Biological Systems written by Nikolay V Dokholyan and published by Springer Science & Business Media. This book was released on 2012-02-12 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
Download or read book Our Planet Powered by AI written by Mark Minevich and published by John Wiley & Sons. This book was released on 2023-10-24 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: A hands-on guide to evolving your company with ethical AI along with thought-provoking insights and predictions from a variety of well-known industry leaders In Our Planet Powered by AI, renowned AI strategist and pioneer Mark Minevich delivers an exciting and practical discussion of how to implement groundbreaking artificial intelligence technologies at every level of your organization. You’ll learn to create sustainable, effective competitive advantage by introducing previously unheard-of levels of adaptability, resilience, and innovation into your company. Using real-world case studies from a variety of well-known industry leaders, the author explains the strategic archetypes, technological infrastructures, and cultures of sustainability you’ll need to ensure your firm’s next-level digital transformation takes root. You’ll also discover: How AI can enable new business strategies, models, and ecosystems of innovation and growth How to develop societal impact and powerful organizational benefits with ethical AI implementations that incorporate transparency, fairness, privacy, and reliability What it means to enable all-inclusive artificial intelligence An engaging and hands-on exploration of how to take your firm to new levels of dynamism and growth, Our Planet Powered by AI will earn a place in the libraries of managers, executives, directors, and other business and technology leaders seeking to distinguish their companies in a new age of astonishing technological advancement and fierce competition.
Download or read book Principles and Applications of Density Functional Theory in Inorganic Chemistry II written by N. Kaltsoyannis and published by Springer. This book was released on 2004-08-19 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ch- istry has benefited more from the meteoric rise in density functional theory than inorganic chemistry. the ability to obtainreliable results in feasible ti- scales on systems containing heavy elements such as the d and f transition - tals has led to an enormous growth in computational inorganic chemistry. The inorganic chemical literature reflects this growth; it is almost impossible to open a modern inorganic chemistry journal without finding several papers devoted exclusively or in part to density functional theory calculations. The real imp- tance of the rise in density functional theory in inorganic chemistry is undou- edly the much closer synergy between theory and experiment than was p- viously posible. In these volumes, world-leading researchers describe recent developments in the density functional theory and its applications in modern inorganic and b- inorganic chemistry. These articles address key issues key issues in both sol- state and molecular inorganic chemistry, such as spectroscopy, mechanisms, catalysis, bonding and magnetism. The articles in volume I are more focussed on advances in density functional methodogy, while those in Volume II deal more with applications, although this is by no means a rigid distinction.
Download or read book Principles and Applications of Density Functional Theory in Inorganic Chemistry II written by Nikolas Kaltsoyannis and published by Springer Science & Business Media. This book was released on 2004 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: E. Clot, O. Eisenstein: Agostic Interactions from a Computational Perspective: One Name, many Interpretations.- Robert J. Deet: Recent Developments in Computational Bioinorganic Chemistry.- E. Ruiz: Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods.- D. Sánches-Portal, P. Ordejón, E. Canadell: Computing the Properties of Materials from First Principles with SIESTA.- F. Corà, M. Alfredsson, G. Mallia, D.S. Middlemiss, W.C. Mackrodt, R. Dovesi, R. Orlando: The Performance of Hybrid Density Functionals in Solid State Chemistry
Download or read book Quantum Computing written by Rob Botwright and published by Rob Botwright. This book was released on 101-01-01 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: 🌟 Explore the Future with the "Quantum Computing: Computer Science, Physics, and Mathematics" Book Bundle! 🌟 Are you ready to unlock the secrets of quantum computing and delve into the multidisciplinary world of computer science, physics, and mathematics? Look no further! Our exclusive bundle, consisting of four captivating books, is your ticket to the quantum frontier. 📚 Book 1: "Quantum Computing Demystified: A Beginner's Guide" 📚 Are you new to quantum computing? This beginner's guide will unravel the complex concepts and lay the foundation for your quantum journey. Dive into qubits, superposition, and quantum algorithms, and embark on a transformative exploration of quantum computing's limitless possibilities. 📚 Book 2: "Mastering Quantum Computing: A Comprehensive Guide for Intermediate Learners" 📚 Ready to take the next step? This comprehensive guide is tailored for intermediate learners, providing in-depth insights into advanced topics, quantum programming, and algorithm design. Elevate your skills and become a quantum computing virtuoso. 📚 Book 3: "Advanced Quantum Computing: Exploring the Frontiers of Computer Science, Physics, and Mathematics" 📚 Step into the cutting-edge world of quantum computing's frontiers. Delve into quantum error correction, cryptography, and simulations, and discover the complex challenges and captivating possibilities that await at the forefront of this transformative technology. 📚 Book 4: "Quantum Computing: A Multidisciplinary Approach for Experts" 📚 Quantum computing transcends disciplines, and this book proves it. Explore its multifaceted applications in computer science, physics, mathematics, and beyond. Recognize its potential to reshape industries and address global challenges. This book is a must-read for experts and visionaries. ✨ Why Choose This Bundle? ✨ 🚀 Comprehensive Learning: Our bundle offers a 360-degree view of quantum computing, catering to beginners and experts alike. 🎓 Multidisciplinary Insights: Explore the intersections of computer science, physics, mathematics, and quantum computing for innovative perspectives. 💡 Future-Ready: Quantum computing is at the forefront of technology. Equip yourself with the skills and knowledge that will shape the future. 📖 In-Depth Exploration: Dive deep into quantum mechanics, algorithms, error correction, and applications, unraveling the complexities along the way. 🌌 The quantum frontier awaits your exploration. This bundle is your key to unlocking the boundless potential of quantum computing while understanding its multidisciplinary impact. 🌟 Don't miss this opportunity to embark on a transformative journey into the future of technology! 🌟 Secure your "Quantum Computing: Computer Science, Physics, and Mathematics" book bundle today and prepare to be amazed by the endless possibilities of quantum computing. Elevate your skills, expand your knowledge, and become a quantum trailblazer! 🚀 Grab this bundle now and step into the quantum realm, where the future of computing, science, and mathematics converges! 🚀
Download or read book Energy Transfer Dynamics in Biomaterial Systems written by Irene Burghardt and published by Springer Science & Business Media. This book was released on 2009-09-22 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: The role of quantum coherence in promoting the e ciency of the initial stages of photosynthesis is an open and intriguing question. Lee, Cheng, and Fleming, Science 316, 1462 (2007) The understanding and design of functional biomaterials is one of today’s grand challenge areas that has sparked an intense exchange between biology, materials sciences, electronics, and various other disciplines. Many new - velopments are underway in organic photovoltaics, molecular electronics, and biomimetic research involving, e. g. , arti cal light-harvesting systems inspired by photosynthesis, along with a host of other concepts and device applications. In fact, materials scientists may well be advised to take advantage of Nature’s 3. 8 billion year head-start in designing new materials for light-harvesting and electro-optical applications. Since many of these developments reach into the molecular domain, the - derstanding of nano-structured functional materials equally necessitates f- damental aspects of molecular physics, chemistry, and biology. The elementary energy and charge transfer processes bear much similarity to the molecular phenomena that have been revealed in unprecedented detail by ultrafast op- cal spectroscopies. Indeed, these spectroscopies, which were initially developed and applied for the study of small molecular species, have already evolved into an invaluable tool to monitor ultrafast dynamics in complex biological and materials systems. The molecular-level phenomena in question are often of intrinsically quantum mechanical character, and involve tunneling, non-Born- Oppenheimer e ects, and quantum-mechanical phase coherence.
Download or read book Forensic Quantum Computing Methods written by N.B. Singh and published by N.B. Singh. This book was released on with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Dive into 'Forensic: Quantum Computing Methods', exploring how quantum technologies are revolutionizing forensic science. This book covers everything from encryption to legal implications, offering a clear path through the evolving landscape of investigative techniques and data security. Perfect for researchers and practitioners alike, it's a must-read for anyone curious about the future of forensic science in the quantum age."
Download or read book Quantum Computing written by N.B. Singh and published by N.B. Singh. This book was released on with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Quantum Computing" is a comprehensive and accessible exploration of one of the most exciting and rapidly evolving fields in modern science. Written with both beginners and advanced enthusiasts in mind, this book offers a captivating journey through the world of quantum computing without the need for complex mathematical formulas. With 50 engaging chapters covering a wide range of topics, readers will discover the fascinating principles behind quantum mechanics and how they are harnessed to revolutionize computing, cryptography, telecommunications, and even our understanding of consciousness and the universe itself. From the basics of qubits and superposition to advanced applications like quantum cryptography and artificial intelligence, this book presents complex concepts in a clear and easy-to-understand manner, making it suitable for readers of all backgrounds. Whether you're a curious novice or a seasoned quantum enthusiast, "Quantum Computing" offers a captivating glimpse into the extraordinary possibilities of the quantum world.
Download or read book Amide Bond Activation written by Michal Szostak and published by MDPI. This book was released on 2019-07-12 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: The amide bond represents a privileged motif in chemistry. The recent years have witnessed an explosion of interest in the development of new chemical transformations of amides. These developments cover an impressive range of catalytic N–C bond activation in electrophilic, Lewis acid, radical, and nucleophilic reaction pathways, among other transformations. Equally relevant are structural and theoretical studies that provide the basis for chemoselective manipulation of amidic resonance. This monograph on amide bonds offers a broad survey of recent advances in activation of amides and addresses various approaches in the field.
Download or read book Stock Marketing Quantum Computing Methods written by N.B. Singh and published by N.B. Singh. This book was released on with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore the transformative potential of quantum computing in stock market analysis with 'Stock Marketing: Quantum Computing Methods'. This book provides a comprehensive overview of how quantum technologies are reshaping financial strategies, offering practical insights and future implications for investors and technologists alike.
Download or read book Quantum Chemistry Simulation of Biological Molecules written by Eudenilson L. Albuquerque and published by Cambridge University Press. This book was released on 2021-02-11 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers quantum chemical simulation of molecular systems and their quantum chemical properties, alongside the most cutting-edge biomedical applications.
Download or read book Computer Simulations in Molecular Biology written by Hiqmet Kamberaj and published by Springer Nature. This book was released on 2023-07-31 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics.
Download or read book Biomedical Image Analysis and Mining Techniques for Improved Health Outcomes written by Karâa, Wahiba Ben Abdessalem and published by IGI Global. This book was released on 2015-11-03 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Every second, users produce large amounts of image data from medical and satellite imaging systems. Image mining techniques that are capable of extracting useful information from image data are becoming increasingly useful, especially in medicine and the health sciences. Biomedical Image Analysis and Mining Techniques for Improved Health Outcomes addresses major techniques regarding image processing as a tool for disease identification and diagnosis, as well as treatment recommendation. Highlighting current research intended to advance the medical field, this publication is essential for use by researchers, advanced-level students, academicians, medical professionals, and technology developers. An essential addition to the reference material available in the field of medicine, this timely publication covers a range of applied research on data mining, image processing, computational simulation, data visualization, and image retrieval.
