FHI Poster Sessions 2024

Session

TH Poster Session

25 Nov 2024, 14:00

Fritz-Haber-Institut

118. 1.TH.01 Digital Catalysis: Accelerated Discovery through the Human in the Loop

C. W. Pare (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

119. 1.TH.02 Autonomous Microscopy through Computer Vision and Agent Oriented Programming

M. Vuijk (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

120. 1.TH.03 Smart Experimentation: Adaptive Strategies for Efficient Kinetic Learning in Catalytic Reactors

M. Abibata Kouyate (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

121. 1.TH.04 Disentangling Transport and Kinetics in Complex Reaction Chambers by Novel Reduced Order Modeling Approaches

T. Huelser (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

122. 1.TH.05 Coupling Mass Transport to Surface Kinetics in Models of Electrocatalytic Selectivity

H.S. Pillai (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

123. 1.TH.06 Electrocatalytic Selectivity of the Oxygen Reduction Reaction from Ab Initio Free Energy Simulations

E. Diesen (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

124. 1.TH.07 Unraveling the Electric Double Layer: Bridging Theoretical Insights and Experimental Observations

L. Li (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

125. 1.TH.08 Machine Learning Work Functions for Metal-Water Interfaces

N. Bergmann (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

126. 1.TH.09 Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)

F. Riccius (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

127. 1.TH.10 IrO2 Surface Evolution from Parallel Tempering Simulations

H. Wan (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

128. 1.TH.11 Automatic Exploration of Surface Reaction Networks

H. Jung (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

129. 1.TH.12 Automated Process Exploration Driven by Diversity in Local Atomic Environments

K.C. Lai (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

130. 1.TH.13 A Complete Picture on Correlated Conduction Mechanisms in Amorphous Lithium Thiophosphate using Long Timescale Molecular Dynamics Simulations

T. Huss (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

131. 1.TH.14 Computational Methods for Solid-State NMR of Battery Materials

J. Valenzuela Reina (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

132. 1.TH.15 The SolBat Project: Electron, Phonon, and Polaron Dynamics in Solar Batteries

Y.T. Chan (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

133. 1.TH.16 High-Throughput Modelling of Phonon Polaritons

E. Gelžinytė (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

134. 1.TH.17 Excited States Methods for Large and Largest Systems

M. Kick (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

135. 1.TH.18 Enhanced 2D and 3D Structure-Property Sampling with Generative Models for Inverse Materials Design

P. König (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

136. 1.TH.19 Universally Accurate or Specifically Inadequate? Stress-Testing General Purpose Machine Learning Potentials

K. Jakob (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.

137. 1.TH.20 Machine Learning Driven Design of Spiropyran Photoswitches

R. Strothmann (FHI)

25/11/2024, 14:00

TH Poster Session

Abstract view at TH poster session in building A (2nd floor) on Nov. 25th, 2024, from 2:00 pm.