Achieved
03/20 |
Specifications & requirements |
06/20 |
Data schemes and meta data |
06/20 |
Upgraded kMC model |
12/20 |
Prototypic model for prediction |
12/20 |
1D single cell performance model |
12/20 |
Homogenized and effective parameters |
12/20 |
Interface between electronic structure calculations and mesoscle/ ML models established |
03/21 |
kMC model using experimental parameters |
06/21 |
Database with DFT results |
06/21 |
Database with calculated parameters |
06/21 |
Hierarchy of protocols for calculations of redox potentials and solvation free energies validated against experiments |
09/21 |
Prototype of workflows for screening |
09/21 |
Experimental and kMC results 1 |
09/21 |
Scaling strategies |
12/21 |
Prototypic workflow for design optimizations |
12/21 |
Validation of calculated potentials & solvation free energies |
12/21 |
kMC model using DFT parameters |
02/22 | Hydraulic model for battery stack |
06/22 | Simplified model of electric double layer |
06/22 | Homogenized parameters of cell design |
06/22 | Optimized TEM |