Labs

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!

  • Calculation of IR spectra using VMD IRspec Plug-in
    Calculation of IR spectra using VMD IRspec Plug-in
    The purpose of this tutorial to illustrate the basic capabilities of VMD IRspec plug-in. On example of the Wannier center dynamics from Car-Parrinello simulation we will calculate IR spectra of water molecule.
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