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nanoHUB-U Atoms to Materials L3.3: Interatomic Potentials for Molecular Materials

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Published on Feb 10, 2014

Table of Contents:
00:09 Lecture 3.3: Interatomic Potentials for Molecular Materials: Van Der Waals and Electrostatic Interactions
00:36 Interatomic potentials for molecular materials
01:35 van der Waals interactions
02:44 van der Waals interactions
06:04 Functional forms for van der Waals
08:48 More non-bond interactions: electrostatics
11:14 Electrostatics & periodic boundary conditions
16:33 Non-bond interactions: exclusions
18:47 Total Hamiltonian


This video is part of nanoHUB-U's course From Atoms to Materials: Predictive Theory and Simulations developed by Alejandro Strachan. (https://nanohub.org/courses/FATM)

From Atoms to Materials: Predictive Theory and Simulations is a five-week online course that develops a unified framework for understanding essential physics that govern materials at atomic scales and relate these processes to the macroscopic world. The course will cover important applications, trends, and directions.

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