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

Session

Poster Session II

19 Jun 2025, 16:00

65. Towards Extracting Reaction Mechanisms from Automatic Process Exploration

Aditya Kumar

19/06/2025, 16:00

63. Coupling kinetic Monte-Carlo and Continuum Models with Noise Aware Sparse Grids

Tobias Hülser

19/06/2025, 16:20

59. Towards Automated Reaction Control and Inverse Reactivity Reconstruction in Compact Profile Reactors

Jinyi Zhou

19/06/2025, 16:40

54. Modelling LLZO Grain Boundaries with Amorphous Domains by Adaptively Trained Machine-Learning Interatomic Potentials

Yuandong Wang

19/06/2025, 17:00

52. Deciphering Electrochemical Barriers: Hammond's Postulate in Electrochemistry

Julius Lonnes

19/06/2025, 17:20

64. A Framework for Sparse Kinetic Monte-Carlo Models

Bat-Amgalan Bat-Erdene

19/06/2025, 17:40

58. A Solar Battolyzer Approach: On Demand Hydrogen Production and Energy Storage in 2D materials

Yu-Te Chan

19/06/2025, 17:40

53. Advanced Framework for State of Health Estimation Using Equivalent Circuit Models and Machine Learning

Limei Jin

19/06/2025, 17:40

55. Designing Novel Intermediate Temperature Proton-conducting Electrolytes for Solid Oxide Fuel Cells

Yun An

19/06/2025, 17:40

51. GAP vs. MACE: Efficiency Evaluation in a Liquid Electrolyte System

Anton Beiesdorfer

19/06/2025, 17:40

66. Kinetic Monte Carlo Simulations of Interaction Dynamics: From Prey-Predator Models to Opinion Dynamics

Fatemeh 'Negin' Tavakkoli

19/06/2025, 17:40

56. Navigating the Latent Space of Chemical Solid State Reactions in Hybrid Battery Interfaces

Sina Jennifer Ziegler

19/06/2025, 17:40

61. On the Significance of the Interfacial Capacitance in the Description of Grand-Canonical Energetics

Hedda Oschinski

19/06/2025, 17:40

62. Predicting the Electronic Structure from Machine Learning

Maximilian Ach

19/06/2025, 17:40

60. Revisiting the Origins of Electrocatalytic Activity: the Enthalpy-Entropy Compensation in HER

Barbara Sumic

19/06/2025, 17:40

57. Study of Metalloporphyrins Complex Single-Atom Electrocatalyst on Graphene

Zhe Yun

19/06/2025, 17:40