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

16–20 Jun 2025
Europe/Berlin timezone

Session

Poster Session II

19 Jun 2025, 16:00

Presentation materials

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  1. 65. Towards Extracting Reaction Mechanisms from Automatic Process Exploration
    Aditya Kumar
    19/06/2025, 16:00
  2. 63. Coupling kinetic Monte-Carlo and Continuum Models with Noise Aware Sparse Grids
    Tobias Hülser
    19/06/2025, 16:20
  3. 59. Towards Automated Reaction Control and Inverse Reactivity Reconstruction in Compact Profile Reactors
    Jinyi Zhou
    19/06/2025, 16:40
  4. 54. Modelling LLZO Grain Boundaries with Amorphous Domains by Adaptively Trained Machine-Learning Interatomic Potentials
    Yuandong Wang
    19/06/2025, 17:00
  5. 52. Deciphering Electrochemical Barriers: Hammond's Postulate in Electrochemistry
    Julius Lonnes
    19/06/2025, 17:20
  6. 64. A Framework for Sparse Kinetic Monte-Carlo Models
    Bat-Amgalan Bat-Erdene
    19/06/2025, 17:40
  7. 58. A Solar Battolyzer Approach: On Demand Hydrogen Production and Energy Storage in 2D materials
    Yu-Te Chan
    19/06/2025, 17:40
  8. 53. Advanced Framework for State of Health Estimation Using Equivalent Circuit Models and Machine Learning
    Limei Jin
    19/06/2025, 17:40
  9. 55. Designing Novel Intermediate Temperature Proton-conducting Electrolytes for Solid Oxide Fuel Cells
    Yun An
    19/06/2025, 17:40
  10. 51. GAP vs. MACE: Efficiency Evaluation in a Liquid Electrolyte System
    Anton Beiesdorfer
    19/06/2025, 17:40
  11. 66. Kinetic Monte Carlo Simulations of Interaction Dynamics: From Prey-Predator Models to Opinion Dynamics
    Fatemeh 'Negin' Tavakkoli
    19/06/2025, 17:40
  12. 56. Navigating the Latent Space of Chemical Solid State Reactions in Hybrid Battery Interfaces
    Sina Jennifer Ziegler
    19/06/2025, 17:40
  13. 61. On the Significance of the Interfacial Capacitance in the Description of Grand-Canonical Energetics
    Hedda Oschinski
    19/06/2025, 17:40
  14. 62. Predicting the Electronic Structure from Machine Learning
    Maximilian Ach
    19/06/2025, 17:40
  15. 60. Revisiting the Origins of Electrocatalytic Activity: the Enthalpy-Entropy Compensation in HER
    Barbara Sumic
    19/06/2025, 17:40
  16. 57. Study of Metalloporphyrins Complex Single-Atom Electrocatalyst on Graphene
    Zhe Yun
    19/06/2025, 17:40
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