CPCM-X

Description

This is an fully open source solvation model, based on the original conductor like screening model for realistic solvation (COSMO-RS) model by Klamt et al. in combination with the universal solvation model based on solute electron density (SMD) by Marenich, Cramer and Truhlar.

More information

  • Homepage: https://github.com/grimme-lab/CPCM-X

Availability

Module

Generic

E5

Lake

Epyc

Cascade

Genoa

CPCM-X/1.1.0-gfbf-2024a