Difference between revisions of "Tutorials"
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| + | === Geometry optimization === | ||
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| + | # [[Simulating icosahedral gold clusters]] | ||
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| + | === Analysis and visualization === | ||
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| + | # [[Energetic and structural analysis of a database of PtAu nanoclusters]] | ||
| + | |||
| + | === Grand-Canonical Monte-Carlo === | ||
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| + | # [[Creating oxygenated amorphous carbon]] | ||
| + | # [[XPS-optimized oxygenated amorphous carbon]] | ||
Latest revision as of 17:11, 9 June 2024
Contents
Molecular dynamics
- Running a simple molecular dynamics simulation with TurboGAP: graphitization of carbon
- Graphitization simulation with van der Waals corrections
- Generating amorphous silicon from quenching simulations
