StableGenius

About the project

The central objective of StableGenius is to develop new aqueous organic flow battery (AOFB) posolytes with >0.8V reduction potential (vs SHE), >1M solubility, and unprecedented cycling and calendar stability.

This will be achieved through the development and integration of innovative physics-based atomistic modeling methods, data-driven inverse molecular design, organic synthesis, and multimodal experimental characterization. We will develop an automated computational framework for the discovery of electrochemical degradation mechanisms.

The framework will be validated for experimentally characterized posolytes based on radical, biphenol, and benzidine families. The large amount of generated computational data will allow us to train surrogate and generative machine-learning models as well as use genetic algorithms for the inverse design of new materials. The computationally designed candidate posolytes will be synthesized and characterized experimentally.

Type of project 

Research Project 2 – Independent Research Fund Denmark.

Section members involved in the project

To be determined