Computational Chemistry 3.7 - Boundary Conditions
Short lecture on boundary conditions in molecular simulations.
In principle, we want to simulate very large molecular systems, but due to finite computing power, our system size must be limited. Repeating boundary conditions allow us to use a unit cell and image particles to represent an infinite system with a small, reasonably sized subsample.
Notes Slide: http://i.imgur.com/gMZb6kY.png
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