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

Apr 22 – 26, 2024
Europe/Berlin timezone

Session

Session II: Battery, Materials, and Technology

Apr 22, 2024, 5:20 PM

Presentation materials

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  1. 7. Plane-wave DFT Simulations of Quadrupolar Nuclei NMR
    Mr Javier Valenzuela Reina (Fritz-Haber-Institut der MPG)
    4/22/24, 5:20 PM
  2. 8. Peeling Back the Layers of M LDH
    Dr Juan Manuel Lombardi (Fritz-Haber-Institut der MPG)
    4/22/24, 5:40 PM
  3. 9. Predicting the Periodic Hamiltonian and Surface Reactivity of LPS
    Hanna Türk (Fritz-Haber-Institut der MPG)
    4/23/24, 9:00 AM
  4. 10. Simulating NMR Observables with Machine Learning
    Dr Angela Harper (Fritz-Haber-Institut der MPG)
    4/23/24, 9:40 AM
  5. 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)
    4/23/24, 10:00 AM
  6. 12. Spin to Win: Rotational Dynamics in Lithium Thiophosphate Solid Electrolytes
    Ms Tabea Huss (Fritz-Haber-Institut der MPG)
    4/23/24, 10:20 AM
  7. 13. GAN-nabis: The Highs and Lows of Structure Generation
    Ms Patricia König (Fritz-Haber-Institut der MPG)
    4/23/24, 11:00 AM
  8. 14. Computer Vision in Electron Microscopy: Segmentation & Towards Automation
    Mr Maurits Willem Vuijk (Fritz-Haber-Institut der MPG)
    4/23/24, 11:20 AM
  9. 15. Data-Driven Approach for Networks Reconstruction and Generation
    Dr Gianmarco Ducci (Fritz-Haber-Institut der MPG)
    4/23/24, 11:40 AM
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