Computational Chemistry 3.8 - Molecular Dynamics

Short lecture on the molecular dynamics algorithm.
Molecular dynamics is one method to approximate the average properties of a chemical system using a Newtonian classical mechanics trajectory through time, using a molecular mechanics energy function. The ergodic hypothesis says that a simulation through sufficiently large time or over sufficiently large space should produce the same results.
Notes Slide: i.imgur.com/sVi3tmK.png
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[@SBk408]

Amazing Explanation. Thank you

[@architectman100]

Best explanation!

[@thejavanhr7513]

thanks, you help me a lot on my mid term exam for computational nanotechnology👍

[@bowang475]

Man! Perfect stuff! I feel excited to read into and maybe build on your work (if you don't mind)!

[@TMPChem]

That's what GitHub is for. Anyone can take an open-source public repository, fork it, and add to tinker to their heart's content. I've even had several people suggest small changes to this code, most of which I accepted.