The lab is a place for me to share ideas, tools, tutorials and the occasional experiments connected with my research work, scientific visualization etc.
More to come, stay tuned!
Tutorials
Visualizng Molecular Properties from CPMD Simulations (coming soon)
- Introduction
- Isolated water molecule
- Calculation of IR spectra with VMD IRspec plug-in
- Bulk water with CPMD
- Analysis of water RDF with g(r) plug-in