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Understanding Molecular Simulation: From Algorithms To Applications (Computational Science Series, Vol 1)
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Understanding Molecular Simulation: From Algorithms To Applications Explains The Physics Behind The Recipes Of Molecular Simulation For Materials Science. Computer Simulators Are Continuously Confronted With Questions Concerning The Choice Of A Particular Technique For A Given Application. A Wide Variety Of Tools Exist, So The Choice Of Technique Requires A Good Understanding Of The Basic Principles. More Importantly, Such Understanding May Greatly Improve The Efficiency Of A Simulation Program. The Implementation Of Simulation Methods Is Illustrated In Pseudocodes And Their Practical Use In The Case Studies Used In The Text.Since The First Edition Only Five Years Ago, The Simulation World Has Changed Significantly Current Techniques Have Matured And New Ones Have Appeared. This New Edition Deals With These New Developments; In Particular, There Are Sections On: Transition Path Sampling And Diffusive Barrier Crossing To Simulaterare Events Dissipative Particle Dynamic As A Coursegrained Simulation Technique Novel Schemes To Compute The Longranged Forces Hamiltonian And Nonhamiltonian Dynamics In The Context Constanttemperature And Constantpressure Molecular Dynamics Simulations Multipletime Step Algorithms As An Alternative For Constraints Defects In Solids The Prunedenriched Rosenbluth Sampling, Recoilgrowth, And Concerted Rotations For Complex Molecules Parallel Tempering For Glassy Hamiltoniansexamples Are Included That Highlight Current Applications And The Codes Of Case Studies Are Available On The World Wide Web. Several New Examples Have Been Added Since The First Edition To Illustrate Recent Applications. Questions Are Included In This New Edition. No Prior Knowledge Of Computer Simulation Is Assumed.
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- Q: How many pages does this book have? A: This book has six hundred sixty-four pages. It provides a comprehensive overview of molecular simulation techniques.
- Q: What is the binding type of this book? A: The binding type is hardcover. This ensures durability and longevity for frequent use.
- Q: What are the dimensions of this book? A: The dimensions are six inches in length, one and a half inches in width, and nine point zero two inches in height. These dimensions make it suitable for easy handling.
- Q: Who is the author of this book? A: The author is Daan Frenkel. He is known for his expertise in computational science.
- Q: What is the main subject of this book? A: The main subject is molecular simulation. It covers algorithms and applications relevant to materials science.
- Q: Is this book suitable for beginners? A: This book is ideal for both beginners and those with some knowledge of computer simulation. It does not assume prior knowledge, making it accessible.
- Q: Can this book help improve simulation efficiency? A: Yes, the book provides insights that can greatly improve the efficiency of simulation programs. Understanding the principles discussed is key.
- Q: Are there case studies included in this book? A: Yes, there are case studies included. They illustrate practical applications of the discussed simulation methods.
- Q: Does this book cover any recent developments in molecular simulation? A: Yes, it discusses recent developments and techniques that have emerged since the first edition.
- Q: What topics are addressed in the new edition of this book? A: The new edition covers topics like transition path sampling and dissipative particle dynamics. It also includes novel computation schemes.
- Q: What if I receive a damaged copy of the book? A: If you receive a damaged copy, you should contact customer support for assistance. They will guide you on the return process.
- Q: Is there a warranty for this book? A: Books typically do not come with a warranty. However, check with the retailer for their return policy.
- Q: How should I store this book? A: Store this book in a cool, dry place. Keeping it upright and away from direct sunlight will help maintain its condition.
- Q: What if I have questions about the content after reading? A: If you have questions, consider reaching out to academic forums or discussion groups focused on molecular simulation. Networking with peers can also provide insights.
- Q: Is there an online resource for the case studies mentioned? A: Yes, the codes of case studies are available on the World Wide Web. You can access them for practical application.