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· 2017

Computer Simulation of Liquids

Michael P. Allen, Dominic J. Tildesley

Short summary

This book offers a practical guide to molecular dynamics and Monte Carlo simulation techniques for modeling liquids, explaining how simulation programs work, how to use them, and how to interpret results.

AI-generated from the title and abstract; the full text is not read.

Key points

  • Covers molecular dynamics and Monte Carlo simulation techniques for liquids.
  • Explains program operation, usage, and result interpretation.
  • Includes practical examples and accompanying Fortran/Python programs.
  • Highlights simulations as a key tool complementing experiment and theory in condensed matter physics and chemistry.

AI-generated from the title and abstract; the full text is not read.

Abstract

Abstract 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.

The authors' abstract, as published at the source., 2017 · DOI ↗

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Field: Materials Chemistry

Materials ChemistryMaterials Science