Ab Initio Methods - Search Videos

Brief Introduction to ab initio Molecular Dynamics (AIMD)

YouTubeGregory Beran

Brief Introduction to ab initio Molecular Dynamics (AIMD)

This short videos gives a basic introduction what what ab initio molecular dynamics (AIMD) is, how it works, and some of the common ways of doing it, such as Born-Oppenheimer MD and Car-Parrinello MD.

12.6K viewsMar 12, 2020

Ab Initio Molecular Dynamics

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions

Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions

Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics

Prediction of Thermodynamic Properties of Ionic Liquids: Improved Performance From Ab Initio Molecular Dynamics

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