Download or read book DFT Quantum Computing Methods written by N.B. Singh and published by N.B. Singh. This book was released on with total page 154 pages. Available in PDF, EPUB and Kindle. Book excerpt: "DFT: Quantum Computing Methods" delves into the fusion of Density Functional Theory (DFT) with cutting-edge quantum computing technologies. This book navigates through foundational principles of DFT, revealing how quantum algorithms promise transformative advancements in computational chemistry and materials science. Offering insights accessible to both beginners and seasoned researchers, it explores the potential of quantum computing to revolutionize the simulation and design of molecules and materials, marking a significant leap forward in computational capabilities for scientific discovery and innovation.
Download or read book Molecular Docking Quantum Computing Methods written by N.B. Singh and published by N.B. Singh. This book was released on with total page 99 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Docking: Quantum Computing Methods" delves into the intersection of quantum computing and molecular sciences, presenting an in-depth exploration of how quantum algorithms and hardware can revolutionize molecular docking simulations. From foundational principles to advanced case studies, this book navigates the potential of quantum computing to expedite drug discovery, enhance materials science, and unlock new frontiers in computational chemistry. It serves as a comprehensive guide for researchers, students, and professionals looking to harness quantum technologies for transformative advancements in molecular modeling and simulation.
Download or read book Quantum Computing and Blockchain in Business written by Arunkumar Krishnakumar and published by Packt Publishing Ltd. This book was released on 2020-03-31 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fintech veteran and venture capitalist, Arunkumar Krishnakumar, cuts through the hype to bring us a first-hand look into how quantum computing and Blockchain together could redefine industries and life as we know it. Key FeaturesTake a practical perspective on quantum computing and Blockchain technologies and their impacts on key industriesGain insights from experts who are applying quantum computing or Blockchain in their fieldsSee where quantum computing and Blockchain are heading, and where the two may intersectBook Description Are quantum computing and Blockchain on a collision course or will they be the most important trends of this decade to disrupt industries and life as we know it? Fintech veteran and venture capitalist Arunkumar Krishnakumar cuts through the hype to bring us a first-hand look into how quantum computing and Blockchain together are redefining industries, including fintech, healthcare, and research. Through a series of interviews with domain experts, he also explores these technologies’ potential to transform national and global governance and policies – from how elections are conducted and how smart cities can be designed and optimized for the environment, to what cyberwarfare enabled by quantum cryptography might look like. In doing so, he also highlights challenges that these technologies have to overcome to go mainstream. Quantum Computing and Blockchain in Business explores the potential changes that quantum computing and Blockchain might bring about in the real world. After expanding on the key concepts and techniques, such as applied cryptography, qubits, and digital annealing, that underpin quantum computing and Blockchain, the book dives into how major industries will be impacted by these technologies. Lastly, we consider how the two technologies may come together in a complimentary way. What you will learnUnderstand the fundamentals of quantum computing and BlockchainGain insights from the experts who are using quantum computing and BlockchainDiscover the implications of these technologies for governance and healthcareLearn how Blockchain and quantum computing may influence logistics and financeUnderstand how these technologies are impacting research in areas such as chemistryFind out how these technologies may help the environment and influence smart city developmentUnderstand the implications for cybersecurity as these technologies evolveWho this book is for This book is for tech enthusiasts – developers, architects, managers, consultants, and venture capitalists – working in or interested in the latest developments in quantum computing and blockchain. While the book introduces key ideas, terms, and techniques used in these technologies, the main goal of this book is to prime readers for the practical adoption and applications of these technologies across varies industries and walks of life.
Download or read book Quantum Information and Quantum Computing for Chemical Systems written by Sabre Kais and published by Frontiers Media SA. This book was released on 2021-10-20 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Mathematical Introduction to Electronic Structure Theory written by Lin Lin and published by SIAM. This book was released on 2019-06-05 with total page 127 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. The book begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree?Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn?Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy. The book is written for advanced undergraduate and beginning graduate students, specifically those with mathematical backgrounds but without a priori knowledge of quantum mechanics, and can be used for self-study by researchers, instructors, and other scientists. The book can also serve as a starting point to learn about many-body perturbation theory, a topic at the frontier of the study of interacting electrons.
Download or read book Advances in Physical Organic Chemistry written by and published by Academic Press. This book was released on 2022-11-22 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Physical Organic Chemistry, Volume 56 presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Chapters due to be included in this release cover flavin-dependent enzyme catalysed reactions, coacervates and their properties, heavy atom tunnelling, machine learning, acidity and substituent effects. - Reviews the application of quantitative and mathematical methods to help readers understand chemical problems - Provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry - Covers organic, organometallic, bioorganic, enzymes and materials topics - Presents the only regularly published resource for reviews in physical organic chemistry - Written by authoritative experts who cover a wide range of topics that require a quantitative, molecular-level understanding of phenomena across a diverse range of disciplines
Download or read book Density Functional Methods In Physics written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Density Functional Theory written by David S. Sholl and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.
Download or read book Molecular Quantum Dynamics written by Fabien Gatti and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.
Download or read book Explorations in Quantum Computing written by Colin P. Williams and published by Springer Science & Business Media. This book was released on 2010-12-07 with total page 724 pages. Available in PDF, EPUB and Kindle. Book excerpt: By the year 2020, the basic memory components of a computer will be the size of individual atoms. At such scales, the current theory of computation will become invalid. "Quantum computing" is reinventing the foundations of computer science and information theory in a way that is consistent with quantum physics - the most accurate model of reality currently known. Remarkably, this theory predicts that quantum computers can perform certain tasks breathtakingly faster than classical computers – and, better yet, can accomplish mind-boggling feats such as teleporting information, breaking supposedly "unbreakable" codes, generating true random numbers, and communicating with messages that betray the presence of eavesdropping. This widely anticipated second edition of Explorations in Quantum Computing explains these burgeoning developments in simple terms, and describes the key technological hurdles that must be overcome to make quantum computers a reality. This easy-to-read, time-tested, and comprehensive textbook provides a fresh perspective on the capabilities of quantum computers, and supplies readers with the tools necessary to make their own foray into this exciting field. Topics and features: concludes each chapter with exercises and a summary of the material covered; provides an introduction to the basic mathematical formalism of quantum computing, and the quantum effects that can be harnessed for non-classical computation; discusses the concepts of quantum gates, entangling power, quantum circuits, quantum Fourier, wavelet, and cosine transforms, and quantum universality, computability, and complexity; examines the potential applications of quantum computers in areas such as search, code-breaking, solving NP-Complete problems, quantum simulation, quantum chemistry, and mathematics; investigates the uses of quantum information, including quantum teleportation, superdense coding, quantum data compression, quantum cloning, quantum negation, and quantum cryptography; reviews the advancements made towards practical quantum computers, covering developments in quantum error correction and avoidance, and alternative models of quantum computation. This text/reference is ideal for anyone wishing to learn more about this incredible, perhaps "ultimate," computer revolution. Dr. Colin P. Williams is Program Manager for Advanced Computing Paradigms at the NASA Jet Propulsion Laboratory, California Institute of Technology, and CEO of Xtreme Energetics, Inc. an advanced solar energy company. Dr. Williams has taught quantum computing and quantum information theory as an acting Associate Professor of Computer Science at Stanford University. He has spent over a decade inspiring and leading high technology teams and building business relationships with and Silicon Valley companies. Today his interests include terrestrial and Space-based power generation, quantum computing, cognitive computing, computational material design, visualization, artificial intelligence, evolutionary computing, and remote olfaction. He was formerly a Research Scientist at Xerox PARC and a Research Assistant to Prof. Stephen W. Hawking, Cambridge University.
Download or read book AI Powered Advances in Pharmacology written by Shaik, Aminabee and published by IGI Global. This book was released on 2024-09-14 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of pharmaceutical sciences, the integration of artificial intelligence (AI) has emerged as a groundbreaking force, propelling the field into uncharted territories of discovery and innovation. As traditional approaches in drug discovery and development encounter new challenges, the need for cutting-edge technologies becomes increasingly apparent. AI-Powered Advances in Pharmacology offers an insightful exploration of this critical intersection between AI and pharmacological research. This book delves into how AI technologies are reshaping the understanding of diseases, predicting drug responses, and optimizing therapeutic interventions. It navigates through the relationship between AI algorithms, big data analytics, and traditional pharmacological methodologies, promising to accelerate drug development and usher in a new era of precision medicine. The primary objective of AI-Powered Advances in Pharmacology is to conduct a thorough exploration of the integration of artificial intelligence (AI) into pharmacological research, shedding light on its transformative impact on drug discovery, development, and personalized medicine. This comprehensive overview aims to serve as a valuable resource for researchers, practitioners, and students in the field, bridging the gap between traditional pharmacological approaches and AI methodologies. Through case studies and discussions of emerging trends, the book contributes to the evolving landscape of pharmacology, fostering a deeper understanding of diseases, optimizing therapeutic interventions, and shaping the future of precision medicine. By providing practical insights, it aims to inspire further advancements at the intersection of artificial intelligence and pharmacology.
Download or read book Drug Delivery Systems using Quantum Computing written by Rishabha Malviya and published by John Wiley & Sons. This book was released on 2024-07-30 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book of its kind to show the potential of quantum computing in drug delivery. Drug delivery systems (DDS) are defined as methods by which drugs are delivered to desired tissues, organs, cells, and subcellular organs for drug release and absorption through a variety of drug carriers. By controlling the precise level and/or location of a given drug in the body, side effects are reduced, doses are lowered, and new therapies are possible. Nevertheless, there are still significant obstacles to delivering certain medications to particular cells. Drug delivery methods change pharmacokinetic, pharmacodynamic, and drug release patterns to enhance product efficacy and safety, as well as patient convenience and compliance. Computational approaches in drug development enable quick screening of a vast chemical library and identification of possible binders by using modeling, simulation, and visualization tools. Quantum computing (QC) is a fundamentally new computing paradigm based on quantum mechanics rules that enables certain computations to be conducted significantly more rapidly and effectively than regular computing, and hence this has huge promise for the pharmaceutical sector. Significant advances in computational simulation are making it easier to comprehend the process of drug delivery. This book explores an important biophysical component of DDSs, and how computer modeling may help with the logical design of DDSs with enhanced and optimized characteristics. The book concentrates on computational research for various important types of nanocarriers, including dendrimers and dendrons, polymers, peptides, nucleic acids, lipids, carbon-based DDSs, and gold nanoparticles. Audience Researchers and industry scientists working in clinical research and disease management; pharmacists, formulation and pharmaceutical scientists working in R&D; computer science engineers applying deep learning and quantum computing in healthcare.
Download or read book Applied Computer Aided Drug Design Models and Methods written by Igor José dos Santos Nascimento and published by Bentham Science Publishers. This book was released on 2023-12-08 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format. · Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs. · Explains theoretical fundamentals and applications of computer-aided drug design. · Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP). · Includes scientific reference for advanced readers Readership Students, teachers and early career researchers.
Download or read book Computational Science ICCS 2009 written by Gabrielle Allen and published by Springer Science & Business Media. This book was released on 2009-05-19 with total page 940 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume set LNCS 5544-5545 constitutes the refereed proceedings of the 9th International Conference on Computational Science, ICCS 2009, held in Baton Rouge, LA, USA in May 2008. The 60 revised papers of the main conference track presented together with the abstracts of 5 keynote talks and the 138 revised papers from 13 workshops were carefully reviewed and selected for inclusion in the three volumes. The general main track of ICSS 2009 was organized in about 20 parallel sessions addressing the following topics: e-Science Applications and Systems, Scheduling, Software Services and Tools, New Hardware and Its Applications, Computer Networks, Simulation of Complex Systems, Image Processing, Optimization Techniques, and Numerical Methods.
Download or read book Mastering Quantum Computing written by Cybellium Ltd and published by Cybellium Ltd. This book was released on with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: Embark on a Journey into the Quantum Frontier with "Mastering Quantum Computing" In the realm of cutting-edge technology, quantum computing stands as a revolutionary frontier that promises to transform the world of computation and problem-solving. Quantum computers harness the power of quantum mechanics to tackle complex calculations that are beyond the reach of classical computers. "Mastering Quantum Computing" is your comprehensive guide to unlocking the potential of quantum computation, providing you with the knowledge, skills, and strategies to navigate this exciting and rapidly evolving field. Your Path to Quantum Computing Excellence Quantum computing is more than just the future; it's the present. Whether you're new to quantum computing or an experienced physicist or computer scientist, this book will empower you to master the art and science of quantum computation. What You Will Discover Quantum Fundamentals: Gain a deep understanding of the principles of quantum mechanics and quantum computing, including quantum bits (qubits) and quantum gates. Quantum Algorithms: Explore groundbreaking quantum algorithms and their applications, from Shor's algorithm for integer factorization to Grover's algorithm for unstructured search. Quantum Hardware: Dive into the world of quantum hardware platforms, including superconducting qubits, trapped ions, and topological qubits. Quantum Software Development: Learn to program quantum computers using quantum programming languages like Qiskit, Cirq, and Quipper. Quantum Cryptography: Discover the principles of quantum cryptography, which promises unbreakable security through the laws of quantum physics. Quantum Future: Explore the potential impact of quantum computing on various industries, from cryptography and materials science to artificial intelligence and drug discovery. Why "Mastering Quantum Computing" Is Essential Comprehensive Coverage: This book provides comprehensive coverage of quantum computing topics, ensuring you have a well-rounded understanding of quantum principles and applications. Expert Guidance: Benefit from insights and advice from experienced quantum physicists, computer scientists, and industry experts who share their knowledge and best practices. Career Advancement: Quantum computing is at the forefront of technological innovation, and this book will help you unlock your full potential in this dynamic field. Stay at the Cutting Edge: In a world where quantum computing is poised to revolutionize multiple industries, mastering quantum computing is vital for staying at the forefront of scientific discovery and technological innovation. Your Gateway to Quantum Computing Mastery "Mastering Quantum Computing" is your passport to excellence in the world of quantum computation. Whether you aspire to be a quantum physicist, quantum software developer, or quantum engineer, this guide will equip you with the skills and knowledge to achieve your goals. "Mastering Quantum Computing" is the ultimate resource for individuals seeking to excel in the world of quantum computation and technology. Whether you are new to quantum computing or looking to enhance your skills, this book will provide you with the knowledge and strategies to become a proficient quantum computing expert. Don't wait; begin your journey to quantum computing mastery today! © 2023 Cybellium Ltd. All rights reserved. www.cybellium.com
Download or read book Real World Challenges in Quantum Electronics and Machine Computing written by Ananth, Christo and published by IGI Global. This book was released on 2024-08-05 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum computers are unparalleled in terms of computational power, and they have a multitude of promising applications. However, these computers are prone to noise and instability caused by environmental interactions, making the use of these advanced machines rather impractical in most scenarios. Despite these challenges, Real-World Challenges in Quantum Electronics and Machine Computing provides innovative solutions to navigate the complexities of quantum computation, thus offering hope during this time of turbulence. By delving into the intricacies of quantum electronics and machine computing, this book equips readers with the tools to overcome the hurdles obstructing the path to practical quantum computing. It serves as a roadmap for students, practitioners, and professionals, guiding them through the intricacies of error correction techniques and hardware development. With its comprehensive coverage of cutting-edge topics and innovative solutions, the book empowers readers to tackle the most pressing challenges facing the quantum computing landscape. As researchers and engineers strive to unlock the full potential of quantum computation, this book stands as an indispensable resource, guiding them toward a future where quantum computing transcends the realm of theory and becomes a tangible reality.
Download or read book Time Dependent Density Functional Theory written by Carsten Ullrich and published by Oxford University Press. This book was released on 2012 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
