Cams Libraries

 

 

To help researchers begin their computational studies, we have collected here links and notes to useful atomic modeling software and databases. Check back as tutorials are posted for these different software suites.

The range of available software is vast! If you would like to see links here to other software please post in the forum. If you have questions about one of available software systems listed here, you can find a link to a dedicated forum thread in its listing.

VASPsol

QMCsol is an implicit solvation describing the effect of electrostatics, cavitation, and dispersion in solute/solvent interactions. The effect is used in the plane-wave DFT code VASP and can handle larger periodic systems. This software is freely available as a patch to the original VASP code.

Details and specifications:

  • Calculation: Implicit solvation method
  • Lead developers: Kiran Mathew and Richard G. Hennig

External Links:

CAMS resources for using VASPsol.

  • Do you have questions about VASPsol? Post your questions at the VASPsol entry in the CAMS forum.
  • Check back here for tutorials, notes, and sample output from using the VASPsol software.

 

 

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