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

Session

Session II: Battery, Materials, and Technology

22 Apr 2024, 17:20

7. Plane-wave DFT Simulations of Quadrupolar Nuclei NMR

Mr Javier Valenzuela Reina (Fritz-Haber-Institut der MPG)

22/04/2024, 17:20

8. Peeling Back the Layers of M LDH

Dr Juan Manuel Lombardi (Fritz-Haber-Institut der MPG)

22/04/2024, 17:40

9. Predicting the Periodic Hamiltonian and Surface Reactivity of LPS

Hanna Türk (Fritz-Haber-Institut der MPG)

23/04/2024, 09:00

10. Simulating NMR Observables with Machine Learning

Dr Angela Harper (Fritz-Haber-Institut der MPG)

23/04/2024, 09:40

11. “Watt’s Up” With 7Li: Computing NMR Parameters in Battery Materials Using an All-Electron DFT QM/MM Approach

Mr Federico Civaia (Fritz-Haber-Institut der MPG)

23/04/2024, 10:00

12. Spin to Win: Rotational Dynamics in Lithium Thiophosphate Solid Electrolytes

Ms Tabea Huss (Fritz-Haber-Institut der MPG)

23/04/2024, 10:20

13. GAN-nabis: The Highs and Lows of Structure Generation

Ms Patricia König (Fritz-Haber-Institut der MPG)

23/04/2024, 11:00

14. Computer Vision in Electron Microscopy: Segmentation & Towards Automation

Mr Maurits Willem Vuijk (Fritz-Haber-Institut der MPG)

23/04/2024, 11:20

15. Data-Driven Approach for Networks Reconstruction and Generation

Dr Gianmarco Ducci (Fritz-Haber-Institut der MPG)

23/04/2024, 11:40