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.
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Table of Contents
1. The energy landscape perspective: Cutting a Gordian knot 2. Energy Landscapes and dynamics of Polycyclic Aromatic Hydrocarbon clusters from coarse-grained models 3. A fluxional anionic water trimer 4. Global optimization of gold-based nanoalloys: AuCo, AuCu and AuRh 5.Combination of genetic algorithm and generalized-ensemble algorithms for biomolecular simulations 6. Self-Assembly of Colloidal Open Crystals: Programmed to Yield 7. Colloidal clusters on curved surfaces 8. Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures 9. Free energy landscapes of DNA and its assemblies: Perspectives from coarse-grained modelling 10. Controlled Dynamics and Preferential Trapping on Energy Landscapes 11. Towards Web Assisted Modelling at the Nanoscale 12. Energy landscapes of low-dimensional systems concepts and examples 13. Roy Johnston's Research at Oxford University
