Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
4.4K Views
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06:37 min
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September 17th, 2021
DOI :
September 17th, 2021
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Chapters in this video
0:05
Introduction
0:24
Analysis of the Molecular-dynamics Runs
1:15
Perform the Structural Analysis
2:05
Perform the Speciation Analysis
2:51
Compute Diffusion Coefficients
3:27
Time Correlation Functions
4:04
Thermodynamic Parameters Stemming from the Simulations
4:29
Results: Lifetime of the Si-O Chemical Species
5:59
Conclusion
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