Data-integrated scale bridging for all-solid state batteries: From electrons to atoms

PN 3-10 (II)

Project Description

PN3-10 provides an important contribution toward a holistic data-integrated scale-bridging modelling of all-solid-state lithium ion batteries. The aim is to compute Li+ diffusion coefficients for complex atomistic geometries using ab initio simulations and a surrogate machine learning model. The diffusion coefficients are supplied to project PN3-1, in which they are used for data-integrated modeling on the micro- and mesoscale. From PN3-1, in turn, we obtain information on the relevant atomistic geometries, thus establishing a close collaborative loop between both projects.

Project Information

Project Number PN 3-10 (II)
Project Name Data-Integrated Scale Bridging for All-Solid State Batteries: From Electrons to Atoms
Project Duration July 2022 - December 2025
Project Leader Blazej Grabowski
Yuji Ikeda
Project Members Yongliang Ou, PhD Researcher
Project Partners Felix Fritzen, Project PN 3-1 (II)
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