Roadmap

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 EDL
06/22	Homogenized parameters of cell design
06/22	Optimized cell design data for stack & system model
06/22	Optimized TEM
06/22	MS5 steady-state RF B performance model for material screening
08/22	Electrochemical stack model
09/22	Experimental and kMC results 2
09/22	Scaling strategies
11/22	Multi-chemsitry RFB model
12/22	Prototypic workflow for inverse models
12/22	kMC software deposit
12/22	Numerical upscaling of EDL model
12/22	Validation for cell design optimization
12/22	Pore-scale resolved continuum model
03/22	1D RFB model including upscaled models
03/22	Standalone software for battery model and CAPEX
06/23	Validated models for screening
06/23	Prediction of reaction pathways
06/23	Performance data for stack and system model
06/23	Validated cell performance simulation
08/23	Coupled hydraulic, electrochemical and thermal model
08/23	Experimental and kMC results 3
09/23	Scaling strategies 3
09/23	Validated 3D model of lab-sized RFB test cell
12/23	System level model
12/23	Standalone application for stack & system model
12/23	Optimization for HTS