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Author: David J. Wales
Publisher: Elsevier
ISBN: 0323852858
Category : Technology & Engineering
Languages : en
Pages : 368
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Book Description
Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. - Outlines applications and advances in theory and simulation of energy systems at the nanoscale - Explores how the energy landscapes approach is being applied to nanoscale materials - Assesses major challenges in applying nanomaterials for energy applications on an industrial scale
Author: David J. Wales
Publisher: Elsevier
ISBN: 0323852858
Category : Technology & Engineering
Languages : en
Pages : 368
Get Book Here
Book Description
Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. - Outlines applications and advances in theory and simulation of energy systems at the nanoscale - Explores how the energy landscapes approach is being applied to nanoscale materials - Assesses major challenges in applying nanomaterials for energy applications on an industrial scale
Author: David Wales
Publisher: Cambridge University Press
ISBN: 9780521814157
Category : Science
Languages : en
Pages : 696
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Book Description
A self-contained account of energy landscape theory aimed at graduate students and researchers.
Author: David M. Leitner
Publisher: CRC Press
ISBN: 1420087045
Category : Science
Languages : en
Pages : 450
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Book Description
Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Energy, Heat and Signal Flow presents state-of-the-art computational strategies for studying energy redi
Author:
Publisher: John Wiley & Sons
ISBN: 3527316957
Category : Technology & Engineering
Languages : en
Pages : 331
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Book Description
Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.
Author: Ivan Dimov
Publisher: Springer Nature
ISBN: 3030553477
Category : Technology & Engineering
Languages : en
Pages : 472
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Book Description
Every day we need to solve large problems for which supercomputers are needed. High performance computing (HPC) is a paradigm that allows to efficiently implement large-scale computational tasks on powerful supercomputers unthinkable without optimization. We try to minimize our effort and to maximize the achieved profit. Many challenging real world problems arising in engineering, economics, medicine and other areas can be formulated as large-scale computational tasks. The volume is a comprehensive collection of extended contributions from the High performance computing conference held in Borovets, Bulgaria, September 2019. This book presents recent advances in high performance computing. The topics of interest included into this volume are: HP software tools, Parallel Algorithms and Scalability, HPC in Big Data analytics, Modelling, Simulation & Optimization in a Data Rich Environment, Advanced numerical methods for HPC, Hybrid parallel or distributed algorithms. The volume is focused on important large-scale applications like Environmental and Climate Modeling, Computational Chemistry and Heuristic Algorithms.
Author:
Publisher: Elsevier
ISBN: 0128098945
Category : Science
Languages : en
Pages : 5276
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Book Description
Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Author: Bharat Bhushan
Publisher: Springer Science & Business Media
ISBN: 3642254144
Category : Science
Languages : en
Pages : 634
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Book Description
This book presents the physical and technical foundation of the state of the art in applied scanning probe techniques. It constitutes a timely and comprehensive overview of SPM applications. The chapters in this volume relate to scanning probe microscopy techniques, characterization of various materials and structures and typical industrial applications, including topographic and dynamical surface studies of thin-film semiconductors, polymers, paper, ceramics, and magnetic and biological materials. The chapters are written by leading researchers and application scientists from all over the world and from various industries to provide a broader perspective.
Author: Enrico Gnecco
Publisher: Springer Nature
ISBN: 3031630653
Category :
Languages : en
Pages : 463
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Book Description
Author: Horacio D. Espinosa
Publisher: John Wiley & Sons
ISBN: 111848259X
Category : Technology & Engineering
Languages : en
Pages : 519
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Book Description
Research in nano and cell mechanics has received much attention from the scientific community as a result of society needs and government initiatives to accelerate developments in materials, manufacturing, electronics, medicine and healthcare, energy, and the environment. Engineers and scientists are currently engaging in increasingly complex scientific problems that require interdisciplinary approaches. In this regard, studies in this field draw from fundamentals in atomistic scale phenomena, biology, statistical and continuum mechanics, and multiscale modeling and experimentation. As a result, contributions in these areas are spread over a large number of specialized journals, which prompted the Editors to assemble this book. Nano and Cell Mechanics: Fundamentals and Frontiers brings together many of the new developments in the field for the first time, and covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. Key features: • Provides an overview of recent advances in nano and cell mechanics. • Covers experimental, analytical, and computational tools used to investigate biological and nanoscale phenomena. • Covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. • Presents multiscale-multiphysics modeling and experimentation techniques. • Examines applications in materials, manufacturing, electronics, medicine and healthcare. Nano and Cell Mechanics: Fundamentals and Frontiers is written by internationally recognized experts in theoretical and applied mechanics, applied physics, chemistry, and biology. It is an invaluable reference for graduate students of nano- and bio-technologies, researchers in academia and industry who are working in nano and cell mechanics, and practitioners who are interested in learning about the latest analysis tools. The book can also serve as a text for graduate courses in theoretical and applied mechanics, mechanical engineering, materials science, and applied physics.
Author: William W. Parson
Publisher: Springer
ISBN: 3662467771
Category : Science
Languages : en
Pages : 583
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Book Description
This textbook offers clear explanations of optical spectroscopic phenomena and shows how spectroscopic techniques are used in modern molecular and cellular biophysics and biochemistry. The topics covered include electronic and vibrational absorption, fluorescence, resonance energy transfer, exciton interactions, circular dichroism, coherence and dephasing, ultrafast pump-probe and photon-echo spectroscopy, single-molecule and fluorescence-correlation spectroscopy, Raman scattering, and multiphoton absorption. This revised and updated edition provides expanded discussions of quantum optics, metal-ligand charge-transfer transitions, entropy changes during photoexcitation, electron transfer from excited molecules, normal-mode calculations, vibrational Stark effects, studies of fast processes by resonance energy transfer in single molecules, and two-dimensional electronic and vibrational spectroscopy. The explanations are sufficiently thorough and detailed to be useful for researchers and graduate students and advanced undergraduates in chemistry, biochemistry and biophysics. They are based on time-dependent quantum mechanics, but are developed from first principles with a clarity that makes them accessible to readers with little prior training in this field. Extra topics and highlights are featured in special boxes throughout the text. The author also provides helpful exercises for each chapter.
