Quantum Mechanical Simulation Methods
Download Quantum Mechanical Simulation Methods full books in PDF, epub, and Kindle. Read online free Quantum Mechanical Simulation Methods ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
| Author | : Dominique Bicout |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 324 |
| Release | : 2013-03-09 |
| Genre | : Science |
| ISBN | : 3662096382 |
It is now generally agreed that a deeper understanding of biological processes requires a multi-disciplinary approach employing the tools of biology, chemistry, and physics. Such understanding involves study of biomacromolecules and their functions, which includes how they interact, their reactions, and how information is transmitted between them. This volume is devoted to quantum mechanical simulation techniques, which have developed rapidly in recent years. It covers quantum mechanical calculations of large systems, molecular dynamics combining quantum and classical algorithms, quantum dynamical simulations, and electron and proton transfer processes in proteins and in solutions.
| Author | : Perla Balbuena |
| Publisher | : Elsevier |
| Total Pages | : 971 |
| Release | : 1999-04-22 |
| Genre | : Science |
| ISBN | : 0080536840 |
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
| Author | : John R. Hiller |
| Publisher | : |
| Total Pages | : 252 |
| Release | : 1995-03-03 |
| Genre | : Science |
| ISBN | : |
The Consortium for Upper Level Physics Software (CUPS) has developed a comprehensive series of Nine Book/Software packages that Wiley will publish in FY '95 and '96. CUPS is an international group of 27 physicists, all with extensive backgrounds in the research, teaching, and development of instructional software. The project is being supported by the National Science Foundation (PHY-9014548), and it has received other support from the IBM Corp., Apple Computer Corp., and George Mason University. The Simulations being developed are: Astrophysics, Classical Mechanics, Electricity & Magnetism, Modern Physics, Nuclear and Particle Physics, Quantum Mechanics, Solid State, Thermal and Statistical, and Waves and Optics.
| Author | : Dieter W. Heermann |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 152 |
| Release | : 2012-12-06 |
| Genre | : Mathematics |
| ISBN | : 3642754481 |
Computational methods pertaining to many branches of science, such as physics, physical chemistry and biology, are presented. The text is primarily intended for third-year undergraduate or first-year graduate students. However, active researchers wanting to learn about the new techniques of computational science should also benefit from reading the book. It treats all major methods, including the powerful molecular dynamics method, Brownian dynamics and the Monte-Carlo method. All methods are treated equally from a theroetical point of view. In each case the underlying theory is presented and then practical algorithms are displayed, giving the reader the opportunity to apply these methods directly. For this purpose exercises are included. The book also features complete program listings ready for application.
| Author | : Vladimir A. Durov |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 568 |
| Release | : 2004 |
| Genre | : |
| ISBN | : 9781402018466 |
| Author | : National Academy of Engineering |
| Publisher | : National Academies Press |
| Total Pages | : 125 |
| Release | : 2019-02-28 |
| Genre | : Technology & Engineering |
| ISBN | : 0309487501 |
This volume presents papers on the topics covered at the National Academy of Engineering's 2018 US Frontiers of Engineering Symposium. Every year the symposium brings together 100 outstanding young leaders in engineering to share their cutting-edge research and innovations in selected areas. The 2018 symposium was held September 5-7 and hosted by MIT Lincoln Laboratory in Lexington, Massachusetts. The intent of this book is to convey the excitement of this unique meeting and to highlight innovative developments in engineering research and technical work.
| Author | : Dragica Vasileska |
| Publisher | : CRC Press |
| Total Pages | : 782 |
| Release | : 2017-12-19 |
| Genre | : Technology & Engineering |
| ISBN | : 1420064843 |
Starting with the simplest semiclassical approaches and ending with the description of complex fully quantum-mechanical methods for quantum transport analysis of state-of-the-art devices, Computational Electronics: Semiclassical and Quantum Device Modeling and Simulation provides a comprehensive overview of the essential techniques and methods for effectively analyzing transport in semiconductor devices. With the transistor reaching its limits and new device designs and paradigms of operation being explored, this timely resource delivers the simulation methods needed to properly model state-of-the-art nanoscale devices. The first part examines semiclassical transport methods, including drift-diffusion, hydrodynamic, and Monte Carlo methods for solving the Boltzmann transport equation. Details regarding numerical implementation and sample codes are provided as templates for sophisticated simulation software. The second part introduces the density gradient method, quantum hydrodynamics, and the concept of effective potentials used to account for quantum-mechanical space quantization effects in particle-based simulators. Highlighting the need for quantum transport approaches, it describes various quantum effects that appear in current and future devices being mass-produced or fabricated as a proof of concept. In this context, it introduces the concept of effective potential used to approximately include quantum-mechanical space-quantization effects within the semiclassical particle-based device simulation scheme. Addressing the practical aspects of computational electronics, this authoritative resource concludes by addressing some of the open questions related to quantum transport not covered in most books. Complete with self-study problems and numerous examples throughout, this book supplies readers with the practical understanding required to create their own simulators.
| Author | : John C Baez |
| Publisher | : World Scientific |
| Total Pages | : 276 |
| Release | : 2018-02-14 |
| Genre | : Science |
| ISBN | : 981322696X |
We introduce the theory of chemical reaction networks and their relation to stochastic Petri nets — important ways of modeling population biology and many other fields. We explain how techniques from quantum mechanics can be used to study these models. This relies on a profound and still mysterious analogy between quantum theory and probability theory, which we explore in detail. We also give a tour of key results concerning chemical reaction networks and Petri nets.
| Author | : Ivan Oliveira |
| Publisher | : Elsevier |
| Total Pages | : 265 |
| Release | : 2011-04-18 |
| Genre | : Science |
| ISBN | : 0080497527 |
Quantum Computation and Quantum Information (QIP) deals with the identification and use of quantum resources for information processing. This includes three main branches of investigation: quantum algorithm design, quantum simulation andquantum communication, including quantum cryptography. Along the past few years, QIP has become one of the most active area ofresearch in both, theoretical and experimental physics, attracting students and researchers fascinated, not only by the potentialpractical applications of quantum computers, but also by the possibility of studying fundamental physics at the deepest level of quantum phenomena.NMR Quantum Computation and Quantum Information Processing describes the fundamentals of NMR QIP, and the main developments which can lead to a large-scale quantum processor. The text starts with a general chapter onthe interesting topic of the physics of computation. The very first ideas which sparkled the development of QIP came from basic considerations of the physical processes underlying computational actions. In Chapter 2 it is made an introduction to NMR, including the hardware and other experimental aspects of the technique. InChapter 3 we revise the fundamentals of Quantum Computation and Quantum Information. The chapter is very much based on the extraordinary book of Michael A. Nielsen and Isaac L. Chuang, withan upgrade containing some of the latest developments, such as QIP in phase space, and telecloning. Chapter 4 describes how NMRgenerates quantum logic gates from radiofrequency pulses, upon which quantum protocols are built. It also describes the important technique of Quantum State Tomography for both, quadrupole and spin1/2 nuclei. Chapter 5 describes some of the main experiments of quantum algorithm implementation by NMR, quantum simulation and QIP in phase space. The important issue of entanglement in NMR QIPexperiments is discussed in Chapter 6. This has been a particularly exciting topic in the literature. The chapter contains a discussionon the theoretical aspects of NMR entanglement, as well as some of the main experiments where this phenomenon is reported. Finally, Chapter 7 is an attempt to address the future of NMR QIP, based invery recent developments in nanofabrication and single-spin detection experiments. Each chapter is followed by a number of problems and solutions.* Presents a large number of problems with solutions, ideal for students* Brings together topics in different areas: NMR, nanotechnology, quantum computation * Extensive references
| Author | : Bruce J Berne |
| Publisher | : World Scientific |
| Total Pages | : 881 |
| Release | : 1998-06-17 |
| Genre | : Science |
| ISBN | : 9814496057 |
The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
