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8:00 PM
Excitation Trapping and Polaron Formation in Solar Battery Materials
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Nóra Kovács
(Fritz-Haber-Institut der MPG)
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8:00 PM
On the pH-Dependent Shift of the „Hupd Peak“ on Polycrystaline Pt-Group Surfaces
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Hedda Oschinski
(Fritz-Haber-Institut der MPG)
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8:00 PM
With Markov Jumps Toward Sustainability – Computational Modeling of Catalytic Reactions
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Martin Deimel
(Fritz-Haber-Institut der MPG)
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8:00 PM
Machine Learning Assisted Realistic Description of Catalytic Centers on M1 Catalyst Surfaces
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Kyeonghyeon Nam
(Fritz-Haber-Institut der MPG)
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8:00 PM
Exploring Dynamic Solvation Effects at the Electrochemical IrO2/Water Interface
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Nikhil Bapat
(Fritz-Haber-Institut der MPG)
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8:00 PM
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
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Babak Farhadi J ahromi
(Ruhr-Universität Bochum)
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8:00 PM
Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Perovskites
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Yuxuan Yao
(TU München)
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8:00 PM
Modelling LLZO Grain Boundaries with Amorphous Domains by Adaptively Trained Machine-Learning Interatomic Potentials
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Yuandong Wang
(Fritz-Haber-Institut der MPG)
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8:00 PM
Combining DFTB and Structure Mapping for the Prediction of Transition Paths in the Deactivation of ZnO@Cu Catalysts
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Artem Samtsevych
(Fritz-Haber-Institut der MPG)
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8:00 PM
Realistic Representations of IrO2 Catalyst Surfaces through Extensive Sampling
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Hao Wan
(Fritz-Haber-Institut der MPG)
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8:00 PM
Adaptive Quasi Monte Carlo Quadrature With Possible Application in Bayesian Inference of Chemical Kinetic Models
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Jinyi Zhou
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8:00 PM
A Fundamentals Study of the Slater-Koster Tables in NiOx Systems
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Yihua Song
(Fritz-Haber-Institut der MPG)
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8:00 PM
Machine Learning Enhanced Bayesian Inference on Multiscale Kinetic Models
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Andreas Panagiotopoulos
(Fritz-Haber-Institut der MPG)
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8:00 PM
Classical Force Field Simulations of Electrolytes at Charged Water Surfaces
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Jakob Filser
(Fritz-Haber-Institut der MPG)
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8:00 PM
Charge Mobility Estimation in Amorphous Organic Semiconductors via Machine Learning
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Ke Chen
(Fritz-Haber-Institut der MPG)
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8:00 PM
A General-Purpose Framework for Kinetic Monte-Carlo Simulations
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Roya Ebrahimi Viand
(Fritz-Haber-Institut der MPG)
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8:00 PM
Li-Ion-Mediated Polaron Formation and UV Energy Storage in NbWO6 Photo-Batteries: An Integrated Experimental and Computational Approach
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Yu-Te Chan
(Fritz-Haber-Institut der MPG)
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8:00 PM
Bridging the Gap: From EIS to Real-World Battery Performance with Stochastic Pulse Design
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Limei Jin
(Fritz-Haber-Institut der MPG)
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8:00 PM
How the Metal Substrate Affects Oxide Cluster Shapes in Inverse Catalysts
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Luuk Kempen
(Department of Physics and Astronomy,Aarhus University, Denmark)
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8:00 PM
Incorporation of Preparation Variability Into Reactor Models of Heterogeneous Catalysts
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Muhammad Zeeshan Ashraf
(Fritz-Haber-Institut der MPG)
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8:00 PM
Exploring Enhanced Sampling Concepts Using Boltzmann Generators
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David Greten
(Fritz-Haber-Institut der MPG)
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8:00 PM
Exploration of Cathode-Stable Hybrid Solid-State Electrolytes
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Sina Jennifer Ziegler
(Fritz-Haber-Institut der MPG)
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8:00 PM
Considerations of Mean Field Microkinetic Modeling: Selective Hydrogenation of C2H2
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Olga Vinogradova
(Fritz-Haber-Institut der MPG)
