Tutorials

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Molecular dynamics

  1. Running a simple molecular dynamics simulation with TurboGAP: graphitization of carbon
  2. Graphitization simulation with van der Waals corrections
  3. Generating amorphous silicon from quenching simulations

Geometry optimization

  1. Simulating icosahedral gold clusters

Analysis and visualization

  1. Energetic and structural analysis of a database of PtAu nanoclusters

Grand-Canonical Monte-Carlo

  1. Creating oxygenated amorphous carbon
  2. XPS-optimized oxygenated amorphous carbon
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