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Electrolyte-Screening
Quantum SimStack ASE
General information
App homepage: Go to app homepage
Documentation: Go to app documentation
Detailed information
Author(s): Celso R. C. Rêgo, Wolfgang Wenzel
Affiliation(s): Karlsruhe Institute of Technology
Current state: development (version 1.0)
Source code: github.com
Short description: In this workflow, we use the SimStack framework features to screening electrolytes systems using DFT calculation.
Most recent version: 1.0