0 ratings
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
Item #: 5610378

Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods

88% of respondents would recommend this to a friend

Item #: 5610378

GBP 107

Price Details

Excluding Shipping & Custom charges ( Shipping and custom charges will be calculated on checkout )

*All items will import from US

0 ratings Write a review
In stock
us Imported from USA store

QTY:

Order now and get it around Saturday, September 19
Secured transactionsecured transaction

Ubuy works hard to protect your security and privacy. Our advanced payment security system ensures confidentiality by encrypting your information during transmission using AES (Advanced Encryption Standards) and SSL (Secure Socket Layer) protocols. Your payment details are 100% secure as we do not share your payment details with third party sellers.

Our Top Logistics Partners
  • 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 Warranty:
None
Select a Plan
fast shipping

Fast
Shipping

free return

Free
Return*

secure packaging

Secure Packaging

100% original products

100% Original Products

pci-dss

PCI DSS Compliance

iso certified

ISO 27001 Certified

paypal payment
visa payment
mastercard payment
Note: Step Down Voltage Transformer required for using electronics products of US store (110-120). Recommended power converters Buy Now.

What Stands Out

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.

Product Details

Shop Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods online at a best price in Jersey. 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)

Who Should Buy?

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.

Product Description

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!.

Have any Query? Chat with us

Customer Questions & Answers

  • Question: What is Ab Initio Molecular Dynamics?

    Answer: 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.
  • Question: What topics are covered in Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods?

    Answer: 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.
  • Question: Who should read this book?

    Answer: 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.
  • Question: What are the prerequisites for understanding this book?

    Answer: 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.
  • Question: How is this book useful for computational chemistry research?

    Answer: 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.
  • Question: Does the book include practical examples?

    Answer: 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.
  • Question: How does AIMD differ from classical molecular dynamics?

    Answer: 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.
  • Question: Can this book help in understanding new materials development?

    Answer: 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.
  • Question: What software is compatible with AIMD techniques discussed in the book?

    Answer: 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.
  • Question: Where can I buy Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods 1st Edition in Jersey?

    Answer: 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 Jersey. 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

The "Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods" 1st Edition is a comprehensive guide to quantum molecular dynamics that covers almost everything in ab-initio molecular simulation with the car-parrinello method. It is highly recommended for those with prior knowledge in quantum mechanics, density functional theory, Hatree-Fock theory, slater determinant, and advanced mathematics used in quantum mechanics. The book is quite advanced and may require few other books or papers to understand it fully. However, it is very comprehensive with an extensive list of references. The first two chapters are available online for free, and for someone who does not need all the advanced details, those two chapters are enough as a start. The product has received positive reviews online for its great references and information, complemented by a cheap price and fast delivery.

Customer Reviews & Ratings

1 customers ratings
  • 5 Star
    100%
  • 4 Star
    0%
  • 3 Star
    0%
  • 2 Star
    0%
  • 1 Star
    0%

Review this product

Share your thoughts with other customers

Pros

  • Comprehensive guide to quantum molecular dynamics
  • Extensive list of references
  • Positive customer reviews
  • Cheap price

Cons

  • Advanced level may require additional references or prior knowledge

Platform Trust & Buyer Confidence

trustpilot logo
4.2/5 9300 + reviews
Read reviews
JG
Jazz
Verified buyer

“Easy to use and always helpful and sorts any issues I've had past and present”

1 September 2026 · via Trustpilot
EK
Emmanuel
Verified buyer

“I always receive support when I engage customer service. Overall my experience with UBUY has been top notch. Keep up the good work.”

31 August 2026 · via Trustpilot
F
fnd
Verified buyer

“The delivery was fast and the product came undamaged and authentic.”

29 August 2026 · via Trustpilot
LC
Leana
Verified buyer

“Ubuy is extremely efficient and to order online is an easy process. The verity of products to buy is really unlimited! My order was urgent and I got it on time. The products are great! Thank you Ubuy!”

25 August 2026 · via Trustpilot
HL
Hengo
Verified buyer

“Fast, convenient and cheap. Great store!”

27 August 2026 · via Trustpilot
Secure Checkout Global Delivery Easy Returns Genuine Products

Product Price History

Important information

  • Limitations : For products shipped internationally, please note that any manufacturer warranty may not be valid; manufacturer service options may not be available; product manuals, instructions, and safety warnings may not be in destination country languages; the products (and accompanying materials) may not be designed in accordance with destination country standards, specifications, and labeling requirements; and the products may not conform to destination country voltage and other electrical standards (requiring use of an adapter or converter if appropriate). The recipient is responsible for assuring that the product can be lawfully imported to the destination country. When ordering from Ubuy or its affiliates, the recipient is the importer of record and must comply with all laws and regulations of the destination country.
  • Not all the products listed on Ubuy are for sale, as Ubuy is a global search engine. Products are subject to export/trade regulations.

GBP 107

Order now and get it around Saturday, September 19

QTY:

Secured transactionsecured transaction

PCI DSS compliant and ISO 27001:2022 certified, with encrypted payments and full buyer protection on every order.

Our Top Logistics Partners
  • fedex
  • dhl
Fastest cross-border delivery

Features & Benefits

  • 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 Assurance

Experience worry-free shopping with 100% original products, PCI DSS-compliant payment security, ISO 27001-certified data protection, the fastest cross-border delivery, free returns *, and secure packaging on every order.