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

Jun 16 – 20, 2025
Europe/Berlin timezone

Session

Poster Session II

Jun 19, 2025, 4:00 PM

Presentation materials

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  1. 65. Towards Extracting Reaction Mechanisms from Automatic Process Exploration
    Aditya Kumar
    6/19/25, 4:00 PM
  2. 63. Coupling kinetic Monte-Carlo and Continuum Models with Noise Aware Sparse Grids
    Tobias Hülser
    6/19/25, 4:20 PM
  3. 59. Towards Automated Reaction Control and Inverse Reactivity Reconstruction in Compact Profile Reactors
    Jinyi Zhou
    6/19/25, 4:40 PM
  4. 54. Modelling LLZO Grain Boundaries with Amorphous Domains by Adaptively Trained Machine-Learning Interatomic Potentials
    Yuandong Wang
    6/19/25, 5:00 PM
  5. 52. Deciphering Electrochemical Barriers: Hammond's Postulate in Electrochemistry
    Julius Lonnes
    6/19/25, 5:20 PM
  6. 64. A Framework for Sparse Kinetic Monte-Carlo Models
    Bat-Amgalan Bat-Erdene
    6/19/25, 5:40 PM
  7. 58. A Solar Battolyzer Approach: On Demand Hydrogen Production and Energy Storage in 2D materials
    Yu-Te Chan
    6/19/25, 5:40 PM
  8. 53. Advanced Framework for State of Health Estimation Using Equivalent Circuit Models and Machine Learning
    Limei Jin
    6/19/25, 5:40 PM
  9. 55. Designing Novel Intermediate Temperature Proton-conducting Electrolytes for Solid Oxide Fuel Cells
    Yun An
    6/19/25, 5:40 PM
  10. 51. GAP vs. MACE: Efficiency Evaluation in a Liquid Electrolyte System
    Anton Beiesdorfer
    6/19/25, 5:40 PM
  11. 66. Kinetic Monte Carlo Simulations of Interaction Dynamics: From Prey-Predator Models to Opinion Dynamics
    Fatemeh 'Negin' Tavakkoli
    6/19/25, 5:40 PM
  12. 56. Navigating the Latent Space of Chemical Solid State Reactions in Hybrid Battery Interfaces
    Sina Jennifer Ziegler
    6/19/25, 5:40 PM
  13. 61. On the Significance of the Interfacial Capacitance in the Description of Grand-Canonical Energetics
    Hedda Oschinski
    6/19/25, 5:40 PM
  14. 62. Predicting the Electronic Structure from Machine Learning
    Maximilian Ach
    6/19/25, 5:40 PM
  15. 60. Revisiting the Origins of Electrocatalytic Activity: the Enthalpy-Entropy Compensation in HER
    Barbara Sumic
    6/19/25, 5:40 PM
  16. 57. Study of Metalloporphyrins Complex Single-Atom Electrocatalyst on Graphene
    Zhe Yun
    6/19/25, 5:40 PM
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