Understanding Molecular Simulation

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Focusing on molecular simulation, this book provides insights from chemical-physics and statistical mechanics, emphasizing the development of algorithms and their applications. It caters to both developers and users, guiding them in selecting suitable computational techniques. The text includes pseudocode implementations and case studies to illustrate practical applications. The updated edition reflects significant advancements in simulation techniques and introduces new examples to enhance understanding, making it accessible for readers without prior knowledge of computer simulation.