Frontiers of Multi-scale Modeling in Materials, Energy & Catalysis XI

Session

Session 1

16 Jun 2025, 16:00

1. Data-Driven Modelling of Biomolecular Self-Assembly Processes

Carlo Camilloni

16/06/2025, 16:00

2. Non-Parametric Solid-State Embedding for NMR Computations using All-Electron DFT

Federico Civaia

16/06/2025, 16:40

3. Crossing Boundaries? Probing Ion Conduction across Interfaces in Solid Electrolytes using Computational NMR Spectroscopy

Tabea Huss

16/06/2025, 17:00

4. Assessing Dataset Composition and Transferability in Machine Learning-Based NMR Predictions of Solid-State Electrolytes: A Case Study on LLZO and NPS

Javier Valenzuela Reina

16/06/2025, 17:20