Regensburg 2025 – wissenschaftliches Programm

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 7: Materials for the Storage and Conversion of Energy (joint session MM/KFM)

Montag, 17. März 2025, 17:15–18:30, H22

Lithium-based Materials

	17:15	KFM 7.1	Lithium diffusion pathways in modern solid state Li conductors — •Mykhaylo Monchak, Volodymyr Baran, Stefan Strangmüller, and Anatoliy Senyshyn
	17:30	KFM 7.2	"Effortless Embedding": Non-Parametric Solid-State Embedding for NMR Computations using All-Electron DFT — •Federico Civaia, Simone S. Köcher, Karsten Reuter, and Christoph Scheurer
	17:45	KFM 7.3	Insights into Li-ion battery cathode redox chemistry via charge transfer multiplet simulations of LiNi1/3Mn1/3Co1/3O2 — •Ruiwen Xie, Maximilian Mellin, Wolfram Jaegermann, Jan. P Hofmann, and Hongbin Zhang
	18:00	KFM 7.4	Modelling LLZO Grain Boundaries with Amorphous Domains by Adaptively Trained Machine-Learning Interatomic Potentials — •Yuandong Wang, Yute Chan, Hao Wan, Kyeonghyeon Nam, Karsten Reuter, and Christoph Scheurer
	18:15	KFM 7.5	Early Stage of Li Cluster Nucleation at the Li Anode-Solid Electrolyte Interface in Solid-State Batteries — •Yun An, Taiping Hu, Quanquan Pang, and Shenzhen Xu