تحليل يذوب والسوائل من المحاكاة Ab Initio الديناميات الجزيئية مع حزمة UMD

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