Modelling the Impact of Argon Atoms on a WO<sub>3</sub> Surface by Molecular Dynamics Simulations

Modelling the Impact of Argon Atoms on a WO<sub>3</sub> Surface by Molecular Dynamics Simulations

Machine learning potential energy functions can drive the atomistic dynamics of molecules, clusters, and condensed phases. They are amongst the first examples that showed how quantum mechanics together with machine learning can predict chemical reactions as well as material properties and even lead...

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Bibliographic Details
Main Authors: Shokirbek Shermukhamedov, Thana Maihom, Michael Probst
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Molecules
Subjects:
molecular dynamics
surface sputtering
tungsten oxide
fusion research
machine learning potential energy functions
Behler–Parinello method
Online Access:https://www.mdpi.com/1420-3049/29/24/5928
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