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.
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
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.
Return to the atomic modeling software index