Amsterdam Modeling Suite workshop: basic exercises
Here are some suggested to tutorials to get you started. Let us know what you would like to do so we can perhaps point you to relevant examples!
- Getting Started
- Building structures
- Structure and Reactivity
- Molecular Dynamics and Monte Carlo
- Vibrational Spectroscopy
- Optical Properties, Electronic Excitations
- NMR
- Electronic Structure, Model Hamiltonians
- Analysis
- COSMO-RS: Fluid Thermodynamics
- Kinetics
- Workflows and Automation
- External Programs: QE and VASP