Molecular Dynamics and Accelerated Molecular Dynamics Methods - Part 1

Arthur F. Voter
Los Alamos National Laboratory

In this set of lectures, I will present an introduction to the molecular dynamics (MD)
simulation method. Topics will include: the need for MD, interatomic potentials,forces from electronic structure calculations, time and size scale limitations,examples of properties that can be computed with MD,integrators,thermostats, and the accuracy of a trajectory. The last lecture or two will be devoted to accelerated
molecular dynamics methods, which allow simulation of much longer time scales for infrequent event systems.


Presentation File (PDF file)
Related Article (PDF file)
Related Article (PDF file)

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