1. Introduction
Charlotte BECQUART is a professor at the École nationale supérieure de chimie de Lille, metallurgy, physics and materials engineering laboratory (UMR 8517).
Michel PEREZ is a lecturer at the Institut National des Sciences Appliquées de Lyon, Materials, Engineering and Science Laboratory (UMR 5510).
Over the last 70 years, which have seen an extraordinary development in computing tools, computer power has increased by a factor of 10 15 . Since the birth of what might be called the first computer: the Zuse 1 in 1938, the number of decimal operations per second (Flops) has increased by a factor of 1,000 every 15 years! (figure
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Studies and properties of metals
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Introduction
Method
Bibliography
Software tools
Given the power of computational tools and the simplicity of (often open-source) molecular dynamics software, it's relatively easy for any engineer or researcher with a little time on their hands to "get started": documentation is often very well written and includes tutorials or examples that are relatively easy to implement. Below is a list of the main distributions available. However, it is far more effective to start...
Molecular Dynamics Distributions
AMBER (Assisted Model Building and Energy Refinement) http://ambermd.org/ Univ. California. Version 10 (April 2008). Paying under license (Rech./Educ. $400 – Enterprise: $25,000). Dedicated to organic molecules.
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