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4. Development prospects
Molecular dynamics is a relatively young field of research, which is currently expanding rapidly thanks to the ever-growing number of users (and therefore developers). Among the main avenues for development in the years to come are :
the development of "multi-atom" potentials describing binary or even ternary systems: FeC, FeCCr, FeCMn... ;
Interatomic potentials consistent with thermodynamics", a method based on the "cluster variation method" ;
the development of algorithms to accelerate DM. In addition to parallelization,...
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Development prospects
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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