Usually means: Simulation of atoms using physics.
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We found 7 dictionaries that define the word molecular dynamics:

General (2 matching dictionaries)
  1. molecular dynamics: Wiktionary
  2. Molecular Dynamics, Molecular dynamics: Wikipedia, the Free Encyclopedia

Computing (1 matching dictionary)
  1. molecular dynamics: Encyclopedia

Science (3 matching dictionaries)
  1. Agricultural Thesaurus and Glossary (No longer online)
  2. Drug Discovery and Development (No longer online)
  3. Molecular Dynamics: Eric Weisstein's World of Physics

Slang (1 matching dictionary)
  1. molecular dynamics: Urban Dictionary

Definitions from Wiktionary (molecular dynamics)

noun:  (physics) The study of the physical movement of collections of atoms and molecules as they interact

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