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Methods in Molecular Modelling: Methods, Algorithms and Implementation

Name: Methods in Molecular Modelling: Methods, Algorithms and Implementation
Brand: Elsevier
SKU: 9780443187636
Price: 190.54 EUR
Availability: PreOrder

Автор: David Scanlon

Език:

Корици: С меки корици

Издател: Elsevier

Наличност: Очакван нов продукт

Издание 01. 11. 2027

190.54 € 372.66 лв

Methods in Molecular Modelling: Methods, Algorithms and Implementation offers a brief, concise and f...

Информация за книгата

Автор

David Scanlon

Език

Английски език

Корици

Книга - С меки корици

Издадена

2023

страници

350

EAN

9780443187636

Enbook ID

42478541

Издател

Elsevier

Теглоt

450

Размери

152 x 229

Пълно описание

Methods in Molecular Modelling: Methods, Algorithms and Implementation offers a brief, concise and functional overview of methods available for materials modeling, enabling readers to identify the right level of theory for their calculations. It explains the pros and cons of each method, giving the reader an understanding for which method and which level of theory to apply to get trustable results for the minimum computational cost. It serves as the foundation volume for a series which will explore different application areas in detail.The theoretical foundations of methods for modeling molecules and materials are complex, and in addition to physics and chemistry, they also require a solid understanding of mathematics and programming. Beginners in this area will appreciate helpful case studies and examples of application in this book, rather than the derivation of complicated equations. Through a balanced ratio of theoretical background of methods and practical application of these methods to representative problems from physics, chemistry, and materials science, this book teaches how to perform calculations that enable them to design new materials. More experienced researchers will also appreciate the practical applications described that can be used to prepare lectures. Tutorial chapters in Part 1 introduce the basics of each method in a confident manner, similar to the very successful TYC modelling course Applications chapters in Part 2 from world leaders in their fields provide an overview of what can be done using current methods on current computer architectures Balanced explanations of the limitations of certain approaches for certain problems will help beginners become confident in what method to use

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