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This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
How can researchers effectively utilize molecular dynamics and Monte Carlo simulation techniques to model the behavior of simple and complex liquid systems? The authors, Dominic J. Tildesley and Michael P. Allen, provide a comprehensive framework for understanding the computational mechanics behind condensed matter physics. By bridging the gap between theoretical models and experimental observation, the text establishes a rigorous methodology for simulating fluid systems ranging from polymers to biological membranes. The book serves as both a conceptual guide and a practical manual for implementing these simulations in a research environment.
What You Will Find
Scope Limits
Experts and researchers widely recognize this work as a foundational text for those entering the field of computational chemistry and physics. Readers frequently note the technical density of the prose, which is balanced by the inclusion of practical programming examples that facilitate real-world application.
Page Count:
640
Publication Date:
2017-01-01
Publisher:
OUP Oxford
ISBN-10:
0192524704
ISBN-13:
9780192524706
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