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Computational Nanoscience, Lecture 6: Pair Distribution Function and More on Potentials

By Jeffrey C Grossman1, Elif Ertekin2

1. Massachusetts Institute of Technology 2. University of Illinois at Urbana-Champaign

Published on


In this lecture we remind ourselves what a pair distribution function is, how to compute it, and why it is so important in simulations. Then, we revisit potentials and go into more detail including examples of typical functional forms, relative energy scales, and what to keep in mind when developing or using a potential.


Nanoscale Science and Engineering C242/Physics C203
University of California, Berkeley

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