Free Energy Calculations : Theory and Applications in Chemistry and Biology
This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles.
كتب مشابهة
Data Technology in Materials Modelling
This book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way.
Comprehensive utilization of magnesium slag by pidgeon process
This book introduces the harmless handling/recycling of magnesium slag , the process of magnesium silicothermic reduction (Pidgeon process)which the slag was produced, and . the magnesium resources, layout of the industry of the world. Examples and experimental data in this book are from the author group’s research programs, as well as the rencent researches in China. The book could provide precious reference to scientists and engineers in the field of recycling and environment friendly use of the industrial solid wastes. It could also be used for researchers and students who are interested in relevant field.
Adhesive Bonding of Aircraft Composite Structures: Non-destructive Testing and Quality Assurance Concepts
This book is under a CC BY 4.0 license. It presents the results of the ComBoNDT European project, which aimed at the development of more secure, time- and cost-saving extended non-destructive inspection tools for carbon fiber reinforced plastics, adhered surfaces and bonded joints. The book reports the optimal use of composite materials to allow weight savings, reduction in fuel consumptions, savings during production and higher cost efficiency for ground operations.
Austenitic TRIP/TWIP steels and steel-zirconia composites : Design of tough, transformation-strengthened composites and structures
This book presents a collection of the most up-to-date research results in the field of steel development with a focus on pioneering alloy concepts that result in previously unattainable materials properties.
