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

Session

Session 1

Jun 16, 2025, 4:00 PM

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

Carlo Camilloni

6/16/25, 4:00 PM

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

Federico Civaia

6/16/25, 4:40 PM

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

Tabea Huss

6/16/25, 5:00 PM

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

6/16/25, 5:20 PM