Description: Practical Introduction to the Simulation of Molecular Systems, Hardcover by Field, Martin J., ISBN 0521852528, ISBN-13 9780521852524, Brand New, Free shipping in the US Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through .
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Book Title: Practical Introduction to the Simulation of Molecular Systems
Number of Pages: 344 Pages
Publication Name: Practical Introduction to the Simulation of Molecular Systems
Language: English
Publisher: Cambridge University Press
Publication Year: 2007
Item Height: 0.8 in
Subject: Operations Research, Chemistry / Physical & Theoretical, Chemistry / General
Features: Revised
Item Weight: 29.9 Oz
Type: Textbook
Author: Martin J. Field
Item Length: 10 in
Subject Area: Technology & Engineering, Science
Item Width: 7.1 in
Format: Hardcover
