Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
genuine image
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods.
Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
商品＃: 5610378

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

回答者の88%がこの商品を友人に勧めたいと回答

商品＃: 5610378

JPY 21616

価格の詳細

配送料と関税を除く ( 配送料と関税は購入手続き時に計算されます )

*すべての商品はアメリカから輸入されます

在庫あり
アメリカ USA ストアからの輸入品
今すぐ注文すると 頃に届きます Monday, 9月 21
安全な取引安全な取引

Ubuyはお客様のセキュリティとプライバシーの保護に努めています。当社の高度な決済セキュリティシステムは、AES（高度暗号化標準）およびSSL（セキュアソケットレイヤー）プロトコルを使用して送信中の情報を暗号化することで機密性を確保しています。お客様の決済情報は第三者の販売者と共有されることはなく、100%安全に保護されています。

最高の物流パートナー
  • fedex
  • dhl
This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods.
U-Care保証：
なし
プランを選択してください
fast shipping

Fast
Shipping

free return

Free
Return*

安全な梱包

安全な梱包

100％正規品

100％正規品

pci-dss

PCI DSS 準拠

iso certified

ISO 27001認証取得

paypal payment
visa payment
mastercard payment
american express payment
jcb payment

この商品の利点

Comprehensive Theory
Covers foundational concepts and advanced methods in ab initio molecular dynamics, catering to both newcomers and experienced researchers seeking to deepen their understanding of this complex field.
Practical Applications
Includes real-world examples and case studies, illustrating how theoretical principles are applied in practical scenarios, making it valuable for researchers and practitioners in niche scientific domains.
Expert Insights
Authored by leading experts, providing authoritative guidance and unique perspectives on methodology, ensuring readers gain cutting-edge knowledge and techniques in molecular dynamics simulations.

製品詳細

Shop Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods online at a best price in 日本. 0521898633
  • Provides a coherent presentation of the rapidly growing field of ab initio molecular dynamics
  • Ideal for graduate students and researchers
  • Covers a range of methods and their applications
  • Includes pseudo-code and program layout for typical plane wave electronic structure codes
  • Written by authors with state-of-the-art research experiences
  • Authors have expertise in studying dynamics and reactions of complex molecular systems
Publisher Cambridge University Press
Publication date May 25, 2009
Edition 1st
Language English
Print length 578 pages
ISBN-10 0521898633
ISBN-13 978-0521898638
Item Weight 2.82 pounds (1.28 kg)
Dimensions 7 x 1 x 9.25 inches (17.8 x 2.5 x 23.5 cm)

どんな人にお勧めですか？

Suitable For
  • Graduate Students

    Ideal for graduate students studying computational chemistry or physics, offering foundational and advanced knowledge in molecular dynamics.

  • Research Scientists

    Beneficial for research scientists needing detailed theoretical and practical insights for molecular dynamics simulations in their projects.

  • Educators

    Helpful for educators teaching courses in molecular modeling, providing a comprehensive resource for course materials and discussions.

Not Suitable For
  • Beginner Users

    May not suit beginners lacking foundational knowledge in molecular dynamics and theoretical concepts crucial for understanding this text.

製品説明書

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

About This Item

Introducing "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 1st Edition" - the ultimate guide for students and researchers in the field of molecular dynamics. Whether you're just starting out or looking to expand your knowledge, this book provides a comprehensive overview of the subject, written by experts at the forefront of research. Learn the fundamental concepts and theories behind ab initio molecular dynamics and gain a solid foundation to build upon. The authors, Dominik Marx and Jürg Hutter, bring a wealth of experience and expertise to the table, ensuring that the content is both informative and up-to-date. This book covers a wide range of topics, from basic theory to advanced methods, allowing you to delve deep into the field at your own pace.

The pseudo-code and program layout for typical plane wave electronic structure codes are included, empowering you to enhance and customize your own code. Whether you're interested in computational chemistry, quantum mechanics, or numerical simulations, this book has got you covered. Discover the latest developments in the field and explore how ab initio simulations can be used to study complex molecular systems and chemical reactions. Unlock the secrets of molecular dynamics and gain a deep understanding of potential energy surfaces, electronic properties, and quantum systems. With this knowledge, you'll be able to tackle real-world challenges and contribute to cutting-edge research in the field. Grab your copy of "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 1st Edition" today and take your understanding of molecular dynamics to new heights.

It's time to join the ranks of researchers and scientists who are pushing the boundaries of knowledge in this exciting field. Order now and embark on your journey into the world of ab initio molecular dynamics!.

何か質問はありますか？ チャットでお問い合わせください

お客様の質問と回答

  • 質問: What is Ab Initio Molecular Dynamics?

    回答: Ab Initio Molecular Dynamics (AIMD) is a computational simulation method used to study the dynamic behavior of molecular systems based on quantum mechanics. Rather than relying on empirical potentials, AIMD calculates forces derived directly from quantum mechanical principles. This allows for more accurate modeling of molecular interactions and reactions, making it invaluable in fields like chemistry and materials science. For researchers, AIMD provides insights into phenomena like reaction dynamics, material properties, and temperature effects, which are difficult to capture with classical methods.
  • 質問: What topics are covered in Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods?

    回答: The book 'Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods' encompasses foundational concepts and sophisticated techniques in AIMD. It covers topics such as the theoretical underpinnings of molecular dynamics, implementation strategies, and applications in various scientific domains. Additionally, it discusses advanced algorithms, software packages, and best practices for conducting AIMD studies. Researchers and practitioners will find comprehensive case studies that demonstrate the practical applications of these methods in real-world scenarios, enhancing their understanding and ability to apply AIMD effectively.
  • 質問: Who should read this book?

    回答: This book is ideal for graduate students, researchers, and practitioners in fields like chemistry, physics, and materials science interested in molecular dynamics simulations. It serves as both a foundational text for newcomers to the field, offering critical theoretical insights, and an advanced reference for experienced researchers looking to deepen their knowledge. Readers will benefit from the detailed explanations of methods and practical examples, making it suitable for academic coursework or professional research endeavors.
  • 質問: What are the prerequisites for understanding this book?

    回答: To effectively understand the content of 'Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods', readers should have a solid background in quantum mechanics, classical mechanics, and statistical mechanics. Familiarity with computational chemistry concepts and scripting languages may also be beneficial. Those with experience in molecular modeling or related fields will find the material more accessible. This background allows readers to grasp the mathematical formulations and computational techniques presented throughout the text.
  • 質問: How is this book useful for computational chemistry research?

    回答: This book serves as a critical resource for computational chemistry research by bridging theoretical concepts and practical applications. It details methodologies essential for conducting AIMD simulations, which are important for predicting molecular behavior and properties. Researchers can utilize the insights gained from this book to develop more accurate models in their studies, whether they are exploring material synthesis, drug design, or reaction mechanisms. Enhanced computational techniques can also lead to breakthroughs in understanding complex chemical systems.
  • 質問: Does the book include practical examples?

    回答: Yes, 'Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods' includes numerous practical examples and case studies that illustrate the application of AIMD techniques. These examples enable readers to understand how theoretical concepts are applied in real-world research scenarios. By analyzing these cases, readers can learn to implement AIMD methodology in their own research projects, making the book not only a theoretical guide but also a practical manual for aspiring and experienced scientists alike.
  • 質問: How does AIMD differ from classical molecular dynamics?

    回答: AIMD differs from classical molecular dynamics primarily in its approach to calculating forces acting on atoms. While classical methods use empirical potential energy functions to model interactions, AIMD derives forces based on quantum mechanical calculations, leading to increased accuracy in simulating chemical reactions and dynamics. This distinction makes AIMD particularly useful for studying systems where electronic effects are significant, such as bond formation and breaking. Consequently, AIMD provides deeper insights into processes often missed by classical approaches.
  • 質問: Can this book help in understanding new materials development?

    回答: Absolutely! 'Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods' is a valuable resource for understanding the principles behind the design and development of new materials. By applying AIMD techniques highlighted in the book, researchers can predict material properties and behaviors under various conditions, accelerating the discovery of innovative materials. Whether exploring nanomaterials, polymers, or catalysts, the methodologies discussed are essential tools for materials science researchers aiming to develop cutting-edge solutions.
  • 質問: What software is compatible with AIMD techniques discussed in the book?

    回答: The book mentions several software packages that are commonly used for performing AIMD simulations, such as VASP, Quantum ESPRESSO, and CP2K. These programs are designed to facilitate quantum mechanical calculations and support AIMD methodologies effectively. The compatibility of these software tools with the techniques discussed in the book empowers readers to implement their knowledge directly into practical computational projects, increasing their computational capabilities and efficiency in simulating molecular systems.
  • 質問: Where can I buy Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 1st Edition in Japan?

    回答: You can purchase 'Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 1st Edition' through Ubuy, which offers a user-friendly platform for buying books in Japan. Ubuy provides a variety of options and often has special deals, making it convenient to acquire this essential resource for your research and studies.

Computer Simulation Editorial Review

エディターレビューはまだありません

お客様のレビュー＆評価

1 カスタマー評価
  • 5 星
    100%
  • 4 星
    0%
  • 3 星
    0%
  • 2 星
    0%
  • 1 星
    0%

この商品のレビュー

お考えをお聞かせください

プラットフォームの信頼性とお客様の安心

trustpilot logo
4.2/5 9477 レビュー
レビューを読む
JK
Jasmin
Verified buyer

“Great products and very good service: very easy and very fast international delivery.”

9 September 2026 · via Trustpilot
AG
Anke
Verified buyer

“Wonderful online shopping experience, smooth transaction from the start. Payment method works conveniently and delivery is unexpectedly fast and reliable. You go the extra mile for service. What makes this even more amazing, you deliver to Namibia. I will remain a happy Ubuy customer and will increase my purchases for sure! Thank you!”

10 September 2026 · via Trustpilot
H
Hazel
Verified buyer

“Very easy to find the products what you need, and so fast delivery, that’s why I highly recommended to others costumers to used ubuy.”

10 September 2026 · via Trustpilot
O
Opaleye
Verified buyer

“I received exactly what I ordered I was skeptical about your site because that was my first time to order. But the order came timely and neatly packaged. I was not disappointed. Thank you.”

11 September 2026 · via Trustpilot
AC
Adele
Verified buyer

“Easy to find and order what you want on the website. Delivery is quick to the UK”

8 September 2026 · via Trustpilot
安全な決済 国際配送 簡単返品 正規品保証

価格推移

重要な情報

  • 注意：国際運送の商品に関して、製造会社保障は無効になる可能性、アフターサービスは受けれない可能性、取説や安全情報は発送先の言語になっていない可能性ある。商品とその付属品は配送先の国の規格、仕様、ラベル表示法などに適応していない可能性があります。また、配送先の国の電力企画に適応しいない（アダプタや変換器を必要とする）可能性があります。ご注文の商品は配送先の国に輸入することは合法なのかを確認するのは購入者の責任になります。Ubuyからご購入の際、受け取り者は正式な輸入者となり、配送先の全ての法律やルールに遵守する必要があります。
  • Ubuyはグローバル検索エンジンのためリストにある全ての商品が購入できないことがあります。商品は輸出規制、貿易規制があります。

JPY 21616

今すぐ注文すると 頃に届きます Monday, 9月 21

数量：

安全な取引安全な取引

PCI DSS準拠・ISO 27001:2022認証取得。すべてのご注文に暗号化決済と充実したバイヤープロテクションが適用されます。

最高の物流パートナー
  • fedex
  • dhl
最速の国際配送

特徴と利点

  • Provides the first coherent presentation of ab initio molecular dynamics
  • Covers a vast range of methods and their applications, from basic theory to advanced methods
  • Includes systematic derivations of various ab initio molecular dynamics techniques

Ubuyの安心保証

100％正規品、PCI DSS準拠の決済セキュリティ、ISO 27001認証のデータ保護、最速の国際配送、無料返品※、安全な梱包をすべてのご注文でお届けします。