Energy landscapes of nanoscale systems / edited by David J. Wales.

Format:

Book

Contributor:

Wales, David J., editor.

Series:

Frontiers of nanoscience ; v. 21.

Frontiers of nanoscience ; v. 21

Language:

English

Subjects (All):

Potential energy surfaces.

Computational chemistry.

Force and energy.

Nanoscience.

Computational Chemistry.

Medical Subjects:

Computational Chemistry.

Physical Description:

1 online resource (368 pages)

Place of Publication:

Amsterdam, Netherlands : Elsevier Inc., [2022]

Summary:

"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."-- Publisher's website.

Contents:

Chapter 1. The energy landscape perspective: Cutting a Gordian knot

Chapter 2. Energy Landscapes and dynamics of Polycyclic Aromatic Hydrocarbon clusters from coarse-grained models

Chapter 3. A fluxional anionic water trimer

Chapter 4. Global optimization of gold-based nanoalloys: AuCo, AuCu and AuRh

Chapter 5. Combination of genetic algorithm and generalized-ensemble algorithms for biomolecular simulations

Chapter 6. Self-Assembly of Colloidal Open Crystals: Programmed to Yield

Chapter 7. Colloidal clusters on curved surfaces

Chapter 8. Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures

Chapter 9. Free energy landscapes of DNA and its assemblies: Perspectives from coarse-grained modelling

Chapter 10. Controlled Dynamics and Preferential Trapping on Energy Landscapes

Chapter 11. Towards Web Assisted Modelling at the Nanoscale

Chapter 12. Energy landscapes of low-dimensional systems

concepts and examples

Chapter 13. Roy Johnston's Research at Oxford University.

Notes:

Includes index.

Description based on print version record and other sources.

Other Format:

Print version: Wales, David J. Energy Landscapes of Nanoscale Systems

ISBN:

9780323852852