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CH413:Advanced Computational Chemistry 1

This class was created by Brainscape user Tim Lafosse. Visit their profile to learn more about the creator.

By: Tim Lafosse
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Decks in this class (6)

Lecture 1
-Be familiar with the concepts of rare events -Be aware of the timescale problem -Know the difference between free energy-based and path sampling-based methods
7  cards
Lecture 2
-Know what a collective variable (or order parameter) is -Be familiar with the Forward Flux sampling method
19  cards
Lecture 3
-Possess basic concepts of machine learning -Know what a molecular descriptor is
16  cards
Lecture 4
-have an understandinf of the basics of: -Neural networks -Gaussian processes
23  cards
Lecture 5
-have an understandinf of the basics of: -Neural networks -Gaussian processes
12  cards
Key notes
There exist many computational me...,
Define rare events in the context...,
What are enhanced sampling techni...
43  cards

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CH413:Advanced Computational Chemistry 1

  • Class purpose General learning

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