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

A self-contained account of energy landscape theory aimed at graduate students and researchers.

This volume gathers selected contributions from the participants of the Banff International Research Station (BIRS) workshop Coupled Mathematical Models for Physical and Biological Nanoscale Systems and their Applications, who explore various aspects of the analysis, modeling and applications of nanoscale systems, with a particular focus on low dimensional nanostructures and coupled mathematical models for their description. Due to the vastness, novelty and complexity of the interfaces between mathematical modeling and nanoscience and nanotechnology, many important areas in these disciplines remain largely unexplored. In their efforts to move forward, multidisciplinary research communities have come to a clear understanding that, along with experimental techniques, mathematical modeling and analysis have become crucial to the study, development and application of systems at the nanoscale. The conference, held at BIRS in autumn 2016, brought together experts from three different communities working in fields where coupled mathematical models for nanoscale and biosystems are especially relevant: mathematicians, physicists (both theorists and experimentalists), and computational scientists, including those dealing with biological nanostructures. Its objectives: summarize the state-of-the-art; identify and prioritize critical problems of major importance that require solutions; analyze existing methodologies; and explore promising approaches to addressing the challenges identified. The contributions offer up-to-date introductions to a range of topics in nano and biosystems, identify important challenges, assess current methodologies and explore promising approaches. As such, this book will benefit researchers in applied mathematics, as well as physicists and biologists interested in coupled mathematical models and their analysis for physical and biological nanoscale systems that concern applications in biotechnology and medicine, quantum information processing and optoelectronics.

This book is indexed in Chemical Abstracts ServiceSoft and bio-nanomaterials offer a tremendously rich behavior due to the diversity and tailorability of their structures. Built from polymers, nanoparticles, small and large molecules, peptoids and other nanoscale building blocks, such materials exhibit exciting functions, either intrinsically or through the engineering of their organization and combination of blocks. Thus, it is not surprising that a variety of challenges, for example, in energy storage, environment protection, advanced manufacturing, purification and healthcare, can be addressed using these materials. The recent advances in understanding the behavior of soft matter and biomaterials are being actively translated into functional materials systems and devices, which take advantages of newly discovered and specifically created morphologies with desired properties. This major reference work presents a detailed overview of recent research developments on fundamental and application-inspired aspects of soft and bio-nanomaterials and their emerging functions, and will be divided into four volumes: Vol 1: Soft Matter under Geometrical Confinement: From Fundamentals at Planar Surfaces and Interfaces to Functionalities of Nanoporous Materials; Vol 2: Polymers on the Nanoscale: Nano-structured Polymers and Their Applications; Vol 3: Bio-Inspired Nanomaterials: Nanomaterials Built from Biomolecules and Using Bio-derived Principles; Vol 4: Nanomedicine: Nanoscale Materials in Nano/Bio Medicine.

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

Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. - Explores how computational modelling can be successfully applied at the nanoscale level - Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters - Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

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.