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Ab initio molecular dynamics (AIMD)

Posted Dec 16, 2022
By Mark Liao
1 min read

AIMD

ORCA Molecular Dynamics Module

Here is a nice example given by Dr. Martin Brehm.

Also the metadynamics on top of AIMD.

Molecular Dynamics, AIMD
AIMD MD ORCA
This post is licensed under CC BY 4.0 by the author.
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