--- product_id: 761007407 title: "The Art of Molecular Dynamics Simulation" price: "KD 14.13" currency: KWD in_stock: true reviews_count: 8 url: https://www.desertcart.com.kw/products/761007407-the-art-of-molecular-dynamics-simulation store_origin: KW region: Kuwait --- # The Art of Molecular Dynamics Simulation **Price:** KD 14.13 **Availability:** ✅ In Stock ## Quick Answers - **What is this?** The Art of Molecular Dynamics Simulation - **How much does it cost?** KD 14.13 with free shipping - **Is it available?** Yes, in stock and ready to ship - **Where can I buy it?** [www.desertcart.com.kw](https://www.desertcart.com.kw/products/761007407-the-art-of-molecular-dynamics-simulation) ## Best For - Customers looking for quality international products ## Why This Product - Free international shipping included - Worldwide delivery with tracking - 15-day hassle-free returns ## Description Buy The Art of Molecular Dynamics Simulation on desertcart.com ✓ FREE SHIPPING on qualified orders Review: Excellent introduction to MD simulation - Strengths: Excellent selection of topics, with good references and enough discussion of the underlying scientific theory. Thoughtful and well-written. DO NOT USE MERELY AS A COOKBOOK! Weaknesses: Antiquated code, basically FORTRAN with a C veneer. Although the code works as is and is blazingly fast, it's not usable as a basis for further code development -- readers will want to recast the ideas and algorithms in their own up-to-date C code. For example, his arrays start at 1; the only data structure is the array (ugh!), there are no structures. Things get hard to understand when he starts packing multiple array indices into a single composite index, then unpacks it (see, e.g., the code on autocorrelation functions, Chap. 5). However, the awkward code is a blessing in disguise -- write your own and you'll learn an incredible amount! This book gives you all the conceptual tools to do this, and you can use the code supplied (available from the publisher) as a benchmark and check. Actually, there are a few bugs in the code, but considering its complexity (much of which is unavoidable), it is remarkably reliable. In general, the code is optimized for efficiency, not for ease of maintenance or generalization. The author deserves any amount of thanks for writing this unique and indispensable book, which is clearly the fruit of many years of practical computing experience in a 70's, early 80's UNIX environment. The code has not aged well, but the ideas it embodies are timeless. Review: Useful, for the right reader - I'm not sure I'm that reader. The ideal reader is wholly at home with good bits of analysis - you'll be comfortable with Lagrange multipliers, LU decomposition, quaternion representation of oriented values, and a fair bit else. You won't need the basics of classical physics, including Hamiltonians and a few projections of the Navier-Stokes equations down into tractable form. Non- and in-equilibrium dynamics, smooth and discrete representations, plus their mixed forms - you're prepared to build up from these elements. You, the ideal reader, are not much of a programmer, though. The book built very much around extensive C sample code. I use the term "C" in some strict syntactic sense, though. The general style reminds me of FORTRAN, but the global data declarations are in the style of pre-1980 BASIC. This book is aimed at the odd mix of capable numerical analyst (which I'm not) and chemist (which I'm not), but naive software developer (which I'm not). The strength of this book is in its code samples. The author explictly invites modification and extension. The only sane way to modify this code is to understand it thoroughly, and to understand the underlying chemistry, physics, and numerical models. Maybe this book works well for some people, people that I admire immensely. I just wish it worked better for me. //wiredweird ## Technical Specifications | Specification | Value | |---------------|-------| | Best Sellers Rank | #3,676 in Solid-State Physics (Books) #6,405 in Mathematical Physics (Books) #17,241 in Physics (Books) | | Customer Reviews | 4.0 out of 5 stars 9 Reviews | ## Images ![The Art of Molecular Dynamics Simulation - Image 1](https://m.media-amazon.com/images/I/41G5D4079AL.jpg) ## Customer Reviews ### ⭐⭐⭐⭐⭐ Excellent introduction to MD simulation *by A***N on March 24, 2000* Strengths: Excellent selection of topics, with good references and enough discussion of the underlying scientific theory. Thoughtful and well-written. DO NOT USE MERELY AS A COOKBOOK! Weaknesses: Antiquated code, basically FORTRAN with a C veneer. Although the code works as is and is blazingly fast, it's not usable as a basis for further code development -- readers will want to recast the ideas and algorithms in their own up-to-date C code. For example, his arrays start at 1; the only data structure is the array (ugh!), there are no structures. Things get hard to understand when he starts packing multiple array indices into a single composite index, then unpacks it (see, e.g., the code on autocorrelation functions, Chap. 5). However, the awkward code is a blessing in disguise -- write your own and you'll learn an incredible amount! This book gives you all the conceptual tools to do this, and you can use the code supplied (available from the publisher) as a benchmark and check. Actually, there are a few bugs in the code, but considering its complexity (much of which is unavoidable), it is remarkably reliable. In general, the code is optimized for efficiency, not for ease of maintenance or generalization. The author deserves any amount of thanks for writing this unique and indispensable book, which is clearly the fruit of many years of practical computing experience in a 70's, early 80's UNIX environment. The code has not aged well, but the ideas it embodies are timeless. ### ⭐⭐⭐⭐ Useful, for the right reader *by W***D on May 10, 2005* I'm not sure I'm that reader. The ideal reader is wholly at home with good bits of analysis - you'll be comfortable with Lagrange multipliers, LU decomposition, quaternion representation of oriented values, and a fair bit else. You won't need the basics of classical physics, including Hamiltonians and a few projections of the Navier-Stokes equations down into tractable form. Non- and in-equilibrium dynamics, smooth and discrete representations, plus their mixed forms - you're prepared to build up from these elements. You, the ideal reader, are not much of a programmer, though. The book built very much around extensive C sample code. I use the term "C" in some strict syntactic sense, though. The general style reminds me of FORTRAN, but the global data declarations are in the style of pre-1980 BASIC. This book is aimed at the odd mix of capable numerical analyst (which I'm not) and chemist (which I'm not), but naive software developer (which I'm not). The strength of this book is in its code samples. The author explictly invites modification and extension. The only sane way to modify this code is to understand it thoroughly, and to understand the underlying chemistry, physics, and numerical models. Maybe this book works well for some people, people that I admire immensely. I just wish it worked better for me. //wiredweird ### ⭐⭐ Too much and too little. *by B***K on May 30, 2002* This book is in some ways a reasonable introduction to MD. It's the only book I know that actually shows the derivatives of energy functions necessary for writing efficient MD code. Unfortunately it does so in a hard to follow way. This is typical of the rest of the text. The example C code is hideous both in format and style. Missing from the book are essential formulae for calculating macroscopic properties from MD simulations. It is probably the best practical guide to writing MD code, but that isn't saying much. --- ## Why Shop on Desertcart? - 🛒 **Trusted by 1.3+ Million Shoppers** — Serving international shoppers since 2016 - 🌍 **Shop Globally** — Access 737+ million products across 21 categories - 💰 **No Hidden Fees** — All customs, duties, and taxes included in the price - 🔄 **15-Day Free Returns** — Hassle-free returns (30 days for PRO members) - 🔒 **Secure Payments** — Trusted payment options with buyer protection - ⭐ **TrustPilot Rated 4.5/5** — Based on 8,000+ happy customer reviews **Shop now:** [https://www.desertcart.com.kw/products/761007407-the-art-of-molecular-dynamics-simulation](https://www.desertcart.com.kw/products/761007407-the-art-of-molecular-dynamics-simulation) --- *Product available on Desertcart Kuwait* *Store origin: KW* *Last updated: 2026-04-23*