DrSimon Daubner

I am interested in

• Differentiable physics
• Battery modelling and simulation (from the particle scale to cell models)
• Microstructure-property relationships and optimisation
• Developing and benchmarking phase-field approaches including the multiphase-field method and smoothed boundary techniques
• Coupling simulations across scales (DFT - phase-field - electrode models - P2D models)

My research sits at the intersection of battery modelling, machine learning, and image-based simulation and I've collaborated with researchers from international institutions such as MIT, KU Leuven, Central South University and KIT. These established networks have enabled me to conduct impactful, cross-disciplinary research. My pioneering contributions to multiphase-field modelling of battery materials have provided new fundamental insights into how phase transformations impact charging rates in sodium-ion and lithium-ion battery materials, while my work on anisotropic ion transport has helped to quantify the critical relationship between polycrystalline microstructures and transport properties. Furthermore, my development of voxel-based image analysis algorithms has addressed significant gaps in microscopy data evaluation, enhancing the predictive power of materials simulations. My commitment to open science - via public repositories, Python libraries, and

reproducible benchmarks - underscores my dedication to transparent and impactful research.

As co-leader of the Microstructure Mechanics group (IAM-MMS; 04/2021-08/2024; 10-14 scientific staff), I worked on the reproducibility and benchmarking of multiphase-field methods - resulting in two publications (equilibrium and motion of triple junctions and the effect of driving forces) and multiple phase-field community workshops.