In a chemical dynamics simulation, one calculates the atomic level motions of atoms in molecules, collections of molecules, surfaces, interfaces, etc. From these simulations, one obtains an understanding of:How chemical reactions occur at an atomistic, microscopic level, How energy flows and atoms move as reactants become products, a molecule undergoes conformational changes, or a large collection of molecules undergo a phase transition. 

Researchers should cite this work as follows:

• (2024), "Chemical Dynamics Software and Simulation System (CDSSIM System)," https://sciencegateways.org/resources/chemicaldynamicssoftwareandsimulationsystemcdssimsystem.

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1. CDSSIM
2. Chemical dynamics
3. Scientific computing