The book "The Art of Molecular Dynamics Simulation" by D. C. Rapaport is a comprehensive guide to molecular dynamics (MD) simulation, a powerful technique for studying matter at the atomic level. The second edition, extensively revised and enlarged, covers both the theoretical foundations and practical applications of MD. It is structured as a series of case studies that guide readers through the entire process, from problem formulation to software development and data analysis. The book includes new material and updated software, reflecting advancements in computer technology and programming practices. It is suitable for both beginners and experienced practitioners, offering a blend of tutorials and reference materials. The author, Dennis Rapaport, emphasizes the importance of computer programs as essential components of MD projects, integrating detailed program listings into the text. The book aims to provide a practical, hands-on approach to MD, making it a valuable resource for researchers and students in physics, chemistry, biochemistry, materials science, and engineering.The book "The Art of Molecular Dynamics Simulation" by D. C. Rapaport is a comprehensive guide to molecular dynamics (MD) simulation, a powerful technique for studying matter at the atomic level. The second edition, extensively revised and enlarged, covers both the theoretical foundations and practical applications of MD. It is structured as a series of case studies that guide readers through the entire process, from problem formulation to software development and data analysis. The book includes new material and updated software, reflecting advancements in computer technology and programming practices. It is suitable for both beginners and experienced practitioners, offering a blend of tutorials and reference materials. The author, Dennis Rapaport, emphasizes the importance of computer programs as essential components of MD projects, integrating detailed program listings into the text. The book aims to provide a practical, hands-on approach to MD, making it a valuable resource for researchers and students in physics, chemistry, biochemistry, materials science, and engineering.