Download or read book Frontiers of Quantum Chemistry written by Marek J. Wójcik and published by Springer. This book was released on 2017-11-06 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry. Quantum chemistry continues to grow with remarkable success particularly due to rapid progress in supercomputers. The usefulness of quantum chemistry is almost limitless. Its application covers not only physical chemistry but also organic and inorganic chemistry, physics, and life sciences. This book deals with all of these topics. Frontiers of Quantum Chemistry is closely related to the symposium of the same name held at Kwansei Gakuin University at Nishinomiya, Japan, in November 2015. The book's contributors, however, include not only invited speakers at the symposium but also many other distinguished scientists from wide areas of quantum chemistry around the world.
Download or read book Frontiers in Quantum Systems in Chemistry and Physics written by P.J. Grout and published by Springer Science & Business Media. This book was released on 2008-09-12 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.
Download or read book Frontiers in Computational Chemistry written by Zaheer Ul-Haq and published by Bentham Science Publishers. This book was released on 2017-02-22 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.
Download or read book Quantum Science written by Taku Onishi and published by Springer Nature. This book was released on 2022-10-26 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on recent topics of quantum science in both physics and chemistry. Until now, quantum science has not been fully discussed from the interdisciplinary vantage points of both physics and chemistry. This book, however, is written not only for theoretical physicists and chemists, but also for experimentalists in the fields of physical chemistry and condensed matter physics, as collaboration and interplay between construction of quantum theory, and experimentation has become more important. Tips for starting new types of research projects will be found in an understanding of cutting-edge quantum science. In Part I, quantum electronic structures are explained in cases of strongly correlated copper oxides and heavy elements. In Part II, quantum molecular dynamics is investigated by computational approaches and molecular beam experiments. In Part III, after lithium problem in big bang nucleosynthesis scenario is considered using supersymmetric standard model, quantum theories in atomic and molecular systems are reviewed. Finally, in Part IV, the development of quantum computational method is introduced.
Download or read book Frontiers in Computational Chemistry Volume 2 written by Zaheer Ul-Haq and published by Elsevier. This book was released on 2015-12-16 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more. - Brings together a wide range of research into a single collection to help researchers keep up with new methods - Uniquely focuses on computational chemistry approaches that can accelerate drug design - Makes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics
Download or read book New Frontiers for Metrology From Biology and Chemistry to Quantum and Data Science written by M.J.T. Milton and published by IOS Press. This book was released on 2021-12-22 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of standard and reliable measurements is essential in many areas of life, but nowhere is it of more crucial importance than in the world of science, and physics in particular. This book contains 20 contributions presented as part of Course 206 of the International School of Physics Enrico Fermi on New Frontiers for Metrology: From Biology and Chemistry to Quantum and Data Science, held in Varenna, Italy, from 4 -13 July 2019. The Course was the 7th in the Enrico Fermi series devoted to metrology, and followed a milestone in the history of measurement: the adoption of new definitions for the base units of the SI. During the Course, participants reviewed the decision and discussed how the new foundation for metrology is opening new possibilities for physics, with several of the lecturers reflecting on the implications for an easier exploration of the unification of quantum mechanics and gravity. A wide range of other topics were covered, from measuring color and appearance to atomic weights and radiation, and including the application of metrological principles to the management and interpretation of very large sets of scientific data and the application of metrology to biology. The book also contains a selection of posters from the best of those presented by students at the Course. Offering a fascinating exploration of the latest thinking on the subject of metrology, this book will be of interest to researchers and practitioners from many fields.
Download or read book Frontiers in Chemistry Rising Stars written by Steve Suib and published by Frontiers Media SA. This book was released on 2020-04-17 with total page 910 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Frontiers in Chemistry Editorial Office team are delighted to present the inaugural “Frontiers in Chemistry: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s Chief Editors in recognition of their potential to influence the future directions in their respective fields. The work presented here highlights the diversity of research performed across the entire breadth of the chemical sciences, and presents advances in theory, experiment and methodology with applications to compelling problems. This Editorial features the corresponding author(s) of each paper published within this important collection, ordered by section alphabetically, highlighting them as the great researchers of the future. The Frontiers in Chemistry Editorial Office team would like to thank each researcher who contributed their work to this collection. We would also like to personally thank our Chief Editors for their exemplary leadership of this article collection; their strong support and passion for this important, community-driven collection has ensured its success and global impact. Laurent Mathey, PhD Journal Development Manager
Download or read book Moving Frontiers in Quantum Chemistry written by Christoph van Wüllen and published by . This book was released on 2009 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Frontiers in Quantum Methods and Applications in Chemistry and Physics written by M.A.C. Nascimento and published by Springer. This book was released on 2015-04-02 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
Download or read book Towards a Local Realist View of the Quantum Phenomenon written by Alberto Casado and published by Frontiers Media SA. This book was released on 2021-05-03 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Steampunk written by Nicole Yunger Halpern and published by JHU Press. This book was released on 2022-04-12 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The science-fiction genre known as steampunk juxtaposes futuristic technologies with Victorian settings. This fantasy is becoming reality at the intersection of two scientific fields-twenty-first-century quantum physics and nineteenth-century thermodynamics, or the study of energy-in a discipline known as quantum steampunk"--
Download or read book Frontiers in Computational Chemistry Volume 5 written by Zaheer-Ul-Haq and published by Bentham Science Publishers. This book was released on 2020-09-11 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases - Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases - Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System - Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target - Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry - Frontier Molecular Orbital Approach to the Cycloaddition Reactions
Download or read book Propagators in Quantum Chemistry written by Jan Linderberg and published by John Wiley & Sons. This book was released on 2004-03-26 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: The only authoritative reference source on the propagator concept, now thoroughly revised and updated Much has changed in the study of quantum and theoretical chemistry since the publication of the first edition of Propagators in Quantum Chemistry. Advances in computer power and software packages now make it possible to calculate molecular structure, properties, spectra, and reactivity with greater predictive power. Chemical processes, especially under conditions not readily available in the laboratory, can also be much more easily studied via theory and computations. In this environment, the concept of propagators (or Green's functions) is emerging as an increasingly useful tool in the study of atomic and molecular processes. Propagators in Quantum Chemistry, Second Edition presents the theory and basic approximations of propagators in a unified manner as it provides: * A thorough introduction to propagators, and how they can be used to study atomic and molecular properties and spectra * Updated examples and technical details of the use of the propagator concept in various common approximate treatments * Problems that provide the opportunity to work out further details and applications of the theory Propagators, which are still gaining acceptance as tools in theoretical chemistry, have a long-demonstrated power and success in a number of areas including condensed matter physics. Propagators in Quantum Chemistry clearly describes the unprecedented utility and value of propagators, and explores how and why they are becoming increasingly important to scientists and researchers across the scientific spectrum.
Download or read book Frontiers in Computational Chemistry written by Zaheer Ul-Haq and published by Bentham Science Publishers. This book was released on 2018-10-03 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fourth volume of this series features four chapters covering natural lead compounds, computer aided drug discovery methods in Parkinson’s Disease therapy, studies of aminoacyl tRNA synthetase inhibition in bacteria, computational modeling of halogen bonds in biological systems and molecular classification of caffeine and its metabolites.
Download or read book Quantum Theory for Chemical Applications written by Jochen Autschbach and published by Oxford University Press, USA. This book was released on 2020-09-17 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
Download or read book Intermediate Quantum Mechanics written by Hans Albrecht Bethe and published by . This book was released on 1973 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Frontiers in Quantum Computing written by Luigi Maxmilian Caligiuri and published by . This book was released on 2020-10 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum Computing is an ever-increasing field of interest both from a conceptual and applied standpoint. Quantum Computing, belonging to the so called "Quantum Information Science", is founded on the principles of Quantum Mechanics and Information Science. Quantum Mechanics has radically changed our vision and understanding of the physical reality and has had also an enormous technological and societal impact. On the other hand, the developing of Information Theory, including computer science and communications theory, made possible the information "revolution" which had a deep impact on our everyday life. Quantum Computing then relates to the possibility to represent, process and manipulate information by using the principles of quantum mechanics. Apart the theoretical importance of quantum computing to further understand the quantum mechanical behavior of physical systems and the physical foundation of information itself at the most elementary level, probably the most interesting feature of Quantum Computing is related to the possibility to design and realize an actual quantum computer which processes information in the form of quantum-bits or qubits. The great interest of scientific community in the realization of such devices mainly concerns the common believe they could be enormously faster than their classical counterparts so allowing their employment in all the applied fields where computational power is a key feature. Furthermore, the study of Quantum Computing, both at the physical and computational level, would be very important for a deeper understanding of the quantum behavior of a very wide range of physical systems including condensed matter, living systems, elementary particles, astrophysical structures and so on. Despite the general theoretical basis of quantum computing are sufficiently understood, the actual realization of a general - purpose and really usable quantum computer has posed great difficulties so far, mainly related to the issue of "quantum decoherence", the computational speed and scalability many of which still remain substantially unsolved. This volume doesn't mean to represent a complete or a beginner guide to Quantum Computing but has the aim to present some of its most interesting and fascinating developments in different frontier areas related to both theoretical and applied aspects, such, for example, the possibility to realize a quantum superfast "hypercomputing" system using water molecules as physical substrate to process, storage and retrieve information; the connection between quantum computers and quantum gravity; the development of an "instantaneous quantum computer algorithm"; the realization of a universal quantum computer, of a brain-like quantum supercomputer and many others frontiers topics. The target audience of this book is then composed by scientists and researchers interested in the most advanced theoretical and applied developments of quantum computation and quantum information.
