Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules in the context of N-body simulation. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of atoms and molecules are determined by numerically solving ...
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http://en.wikipedia.org/wiki/Molecular_dynamics
(from the article `liquid`) ...A computer model of a liquid is set up, in which between 100 and 1,000 molecules are contained within a cube. There are now two methods of ...
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http://www.britannica.com/eb/a-z/m/109
(MD) A way of figuring out how molecules will behave through the use of quantum mechanical methods. Different in form and method from semi-empirical methods such as the Monte Carlo method.
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http://www.chemistry-dictionary.com/definition/molecular+dynamics+%28md%29.
Molecular dynamics (MD) is a computer simulation technique which follows the time evolution of a molecular system in 3D. Successive integration of Newtons equations of motion over time enables to obtain information about time-dependent properties of the system
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http://www.drugdesign.com/web/teaching/glossary
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