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

Session

Poster Session II

Jun 19, 2025, 4:00 PM

65. Towards Extracting Reaction Mechanisms from Automatic Process Exploration

Aditya Kumar

6/19/25, 4:00 PM

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

Tobias Hülser

6/19/25, 4:20 PM

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

Jinyi Zhou

6/19/25, 4:40 PM

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

Yuandong Wang

6/19/25, 5:00 PM

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

Julius Lonnes

6/19/25, 5:20 PM

64. A Framework for Sparse Kinetic Monte-Carlo Models

Bat-Amgalan Bat-Erdene

6/19/25, 5:40 PM

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

Yu-Te Chan

6/19/25, 5:40 PM

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

Limei Jin

6/19/25, 5:40 PM

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

Yun An

6/19/25, 5:40 PM

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

Anton Beiesdorfer

6/19/25, 5:40 PM

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

Fatemeh 'Negin' Tavakkoli

6/19/25, 5:40 PM

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

Sina Jennifer Ziegler

6/19/25, 5:40 PM

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

Hedda Oschinski

6/19/25, 5:40 PM

62. Predicting the Electronic Structure from Machine Learning

Maximilian Ach

6/19/25, 5:40 PM

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

Barbara Sumic

6/19/25, 5:40 PM

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

Zhe Yun

6/19/25, 5:40 PM