Title
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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We provide a 2-year limited warranty, from the date of purchase for all our products.
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This warranty strictly does not cover damages that arose from negligence, misuse, wear and tear, or not in accordance with product instructions (dropping the product, etc.).
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Frequently Asked Questions
- Q: What is the main focus of 'Understanding Molecular Simulation'? A: The book focuses on the physics and methodologies behind molecular simulation techniques used in materials science, providing insights into algorithmic choices and practical applications.
- Q: Who is the author of this book? A: The author of 'Understanding Molecular Simulation' is Daan Frenkel.
- Q: What edition of the book is available? A: This is the second edition of 'Understanding Molecular Simulation', published on November 7, 2001.
- Q: How many pages does the book have? A: The book contains 664 pages.
- Q: What type of binding does the book have? A: The book is available in hardcover binding.
- Q: Does this book require prior knowledge of computer simulation? A: No, the book does not assume any prior knowledge of computer simulation, making it accessible for beginners.
- Q: What are some of the key topics covered in the book? A: Key topics include transition path sampling, dissipative particle dynamics, long-ranged forces computation, and multiple-time step algorithms.
- Q: Are there any practical examples included in the book? A: Yes, the book includes several examples and case studies that illustrate the application of the discussed simulation methods.
- Q: Where can I find the codes for the case studies mentioned in the book? A: The codes for the case studies are available on the World Wide Web.
- Q: Is this book suitable for advanced studies in molecular simulation? A: Yes, the book is suitable for advanced studies as it covers both mature techniques and recent developments in molecular simulation.