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Practical Molecular Simulations
Prerequisites
How to get access to Princeton computer clusters
How to use the computing cluster
Python
Simulation Tools
Geometry Generation
ASE Tutorial
Example geometries
DeePMD installation
Molecular dynamics basics
Lecture 1
Lecture 2
Lecture 3
Lecture 4
LAMMPS Tutorials
Lecture 5
Lecture 6
Advanced techniques
Lecture 7
Lecture 8
DFT
Lecture 9
Lecture 10
Exercises
Exercise 0
Exercise 1
Exercise 2
.md
.pdf
DFT
DFT
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