FHI Poster Sessions 2024

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Sessions*

TH Poster Session

MP Poster Session

PC Poster Session

ISC / AC Poster Session

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Contributions*

1.TH.01 Digital Catalysis: Accelerated Discovery through the Human in the Loop (in session "TH Poster Session")

1.TH.02 Autonomous Microscopy through Computer Vision and Agent Oriented Programming (in session "TH Poster Session")

1.TH.03 Smart Experimentation: Adaptive Strategies for Efficient Kinetic Learning in Catalytic Reactors (in session "TH Poster Session")

1.TH.04 Disentangling Transport and Kinetics in Complex Reaction Chambers by Novel Reduced Order Modeling Approaches (in session "TH Poster Session")

1.TH.05 Coupling Mass Transport to Surface Kinetics in Models of Electrocatalytic Selectivity (in session "TH Poster Session")

1.TH.06 Electrocatalytic Selectivity of the Oxygen Reduction Reaction from Ab Initio Free Energy Simulations (in session "TH Poster Session")

1.TH.07 Unraveling the Electric Double Layer: Bridging Theoretical Insights and Experimental Observations (in session "TH Poster Session")

1.TH.08 Machine Learning Work Functions for Metal-Water Interfaces (in session "TH Poster Session")

1.TH.09 Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111) (in session "TH Poster Session")

1.TH.10 IrO2 Surface Evolution from Parallel Tempering Simulations (in session "TH Poster Session")

1.TH.11 Automatic Exploration of Surface Reaction Networks (in session "TH Poster Session")

1.TH.12 Automated Process Exploration Driven by Diversity in Local Atomic Environments (in session "TH Poster Session")

1.TH.13 A Complete Picture on Correlated Conduction Mechanisms in Amorphous Lithium Thiophosphate using Long Timescale Molecular Dynamics Simulations (in session "TH Poster Session")

1.TH.14 Computational Methods for Solid-State NMR of Battery Materials (in session "TH Poster Session")

1.TH.15 The SolBat Project: Electron, Phonon, and Polaron Dynamics in Solar Batteries (in session "TH Poster Session")

1.TH.16 High-Throughput Modelling of Phonon Polaritons (in session "TH Poster Session")

1.TH.17 Excited States Methods for Large and Largest Systems (in session "TH Poster Session")

1.TH.18 Enhanced 2D and 3D Structure-Property Sampling with Generative Models for Inverse Materials Design (in session "TH Poster Session")

1.TH.19 Universally Accurate or Specifically Inadequate? Stress-Testing General Purpose Machine Learning Potentials (in session "TH Poster Session")

1.TH.20 Machine Learning Driven Design of Spiropyran Photoswitches (in session "TH Poster Session")

2.MP.01 A Bose-Einstein Condensate of Dysprosium atoms (in session "MP Poster Session")

2.MP.02 New apparatus for ultracold polariton chemistry (in session "MP Poster Session")

2.MP.03 FHI FEL: The world's only two-color dual-oscillator IR FEL (in session "MP Poster Session")

2.MP.04 The Spectrum of He+ as a Proving Ground for Bohr’s Model of the Atom: A Legacy of Williamina Fleming’s Astrophysical Discovery (in session "MP Poster Session")

2.MP.05 Radiationless decay spectrum of O 1s double core holes in liquid water (in session "MP Poster Session")

2.MP.06 Liquid-Jet Photoelectron Circular Dichroism of Aqueous-Phase Alanine (in session "MP Poster Session")

2.MP.07 ATP and ICD of biomolecules (in session "MP Poster Session")

2.MP.08 Liquid-jet method development: Flat jets and velocity map imaging (in session "MP Poster Session")

2.MP.09 Using liquid jets to reveal water's molecular secrets: Proline(aq) XPS and metastable CO scattering (in session "MP Poster Session")

2.MP.10 Spectroscopy of the Rydberg states of ytterbium monofluoride (YbF) (in session "MP Poster Session")

2.MP.11 Vibrationally Resolved Photoelectron Circular Dichroism of a Chiral Anion (in session "MP Poster Session")

2.MP.12 Chiral Selector Ion Vibrational Spectroscopy on Amino Acid Enantiomers (in session "MP Poster Session")

2.MP.13 IRPD Spectroscopy of [Fe2AlO4]+ and [Co2AlO4]+: Unexpected Structural Isomers upon Transition Metal Substitution (in session "MP Poster Session")

2.MP.14 Laser cooling and spectroscopy of the AlF molecule (in session "MP Poster Session")

2.MP.15 The AlF Spectroscopy Database (in session "MP Poster Session")

2.MP.16 The molecular reaction simulation toolkit (MoREST) and molecular reaction analysis toolkit (MoREAT) (in session "MP Poster Session")

2.MP.17 Quantitative studies of Enantiomer-Specific State Transfer (ESST) (in session "MP Poster Session")

2.MP.18 Near-complete chiral selection in rotational quantum states (in session "MP Poster Session")

2.MP.19 High-resolution UV spectroscopy of chiral molecules (in session "MP Poster Session")

2.MP.20 Ultracool IR Spectroscopy: Carbocations in Helium Nanodroplets (in session "MP Poster Session")

2.MP.21 Implementation of IR FEL split-pump and two-colour experiments in ultracold helium nanodroplets (in session "MP Poster Session")

2.MP.22 Perspectives on One- and Two-colour IR Experiments on Helium Droplets (in session "MP Poster Session")

2.MP.23 Cryogenic Infrared Ion Spectroscopy of Photo-Crosslinked Nucleotides (in session "MP Poster Session")

2.MP.24 Gas Phase IR Spectroscopy of Ion Mobility Separated Biomolecules (in session "MP Poster Session")

2.MP.25 FHI-aims: Roadmap on recent advancements and future development plans (in session "MP Poster Session")

2.MP.26 Describing Complex Materials Properties and Functions via Materials Genes Identified by Artificial Intelligence (in session "MP Poster Session")

2.MP.27 Sequential Active Learning Workflows for Materials Discovery Guided by Symbolic Regression : Identifying Acid-Stable Electrocatalysts (in session "MP Poster Session")

2.MP.28 Generality vs. Exceptionality: Optimal Sets of Subgroup Rules Describing CO$_2$ Activation on Single-Atom Alloys (in session "MP Poster Session")

2.MP.29 Electronic band structures at finite temperature with unified electron-electron and electron-vibration self-energies (in session "MP Poster Session")

2.MP.30 Training Acceleration with Improved Reliability for Machine-learned Interatomic Potentials via Active Learning Scheme: Strongly Anharmonic Thermal Insulator Examples (in session "MP Poster Session")

2.MP.31 Non-perturbative Electronic Transport for Strongly Anharmonic Materials (in session "MP Poster Session")

3.PC. An Ultrafast THz Scanning Tunneling Microscope (in session "PC Poster Session")

3.PC. Depth-Profiling Charged Aqueous Interfaces with Vibrational SFG/DFG Spectroscopy (in session "PC Poster Session")

3.PC. Direct Observation of Complex Acid-Base Equilibria at the Liquid-Vapor Interface (in session "PC Poster Session")

3.PC. Driving Coherent Phonon-Phonon Angular Momentum Transfer in the Topological Insulator Bismuth Selenide (in session "PC Poster Session")

3.PC. Elasticity Mapping of Nonahelicene with Submolecular Resolution by NC-AFM (in session "PC Poster Session")

3.PC. Electro-Optic Cavities for In-Situ Measurement of Cavity Fields (in session "PC Poster Session")

3.PC. Electron and exciton dynamics of 2D spin-ordered materials (in session "PC Poster Session")

3.PC. Ellipsometry and Momentum Space Imaging of Phonon Polaritons (in session "PC Poster Session")

3.PC. From Concept to Implementation: Developing a Bright Attosecond X-ray Absorption Beamline (in session "PC Poster Session")

3.PC. Interaction of Ions and Surfactants at the Seawater-Air Interface (in session "PC Poster Session")

3.PC. Investigating ultrafast photoinduced dynamics in 1T- TaS2 with THz scanning tunneling microscopy (in session "PC Poster Session")

3.PC. Magnetic field-dependent ultrafast control of an antiferromagnet (in session "PC Poster Session")

3.PC. Multidimensional Photoemission Spectroscopy: quasiparticle wavefunctions in the time domain (in session "PC Poster Session")

3.PC. Nanoscale light-matter interaction and ultrafast dynamics of ultrathin ZnO/Ag(111) (in session "PC Poster Session")

3.PC. Plasmon-Induced Reaction in Hydrogen-Bonded Molecular Networks (in session "PC Poster Session")

3.PC. Probing Lateral Heterogeneity in Molecular Systems using Phase-Resolved Vibrational Sum-Frequency Generation Microscopy (in session "PC Poster Session")

3.PC. The Anisotropic Water Structure at the Interface to Air – A Depth-Resolved SFG/DFG Study (in session "PC Poster Session")

3.PC. THz-Driven Phonon Fingerprints of Hidden Symmetry Breaking in 2D Layered Hybrid Perovskites (in session "PC Poster Session")

3.PC. Tip-Enhanced Raman Spectroscopy of Physisorbed Hydrogen Molecules (in session "PC Poster Session")

3.PC. Ultraconfined Hyperbolic THz Phonon Polaritons in HfSe2 (in session "PC Poster Session")

3.PC. Ultrafast Charge Density Wave and Flat-Band Dynamics in the Kagome Metal CsV3Sb5 (in session "PC Poster Session")

3.PC. Ultrafast Structural Dynamics in Two-Dimensional Crystals Investigated with Femtosecond Electron Diffraction (in session "PC Poster Session")

3.PC. Uptake of Ammonia by Ice Surfaces at Atmospheric Temperatures (in session "PC Poster Session")

4.AC.01 Insights into NH3 Decomposition with FAIR Data and Operando Studies (in session "ISC / AC Poster Session")

4.AC.02 Catalytic Hydrogenation for the Valorization of CO₂ (in session "ISC / AC Poster Session")

4.AC.03 Towards the Understanding of the Surface Interaction of Cu-ZnO Catalyst under CO2 Hydrogenation Conditions – CatLab Insight (in session "ISC / AC Poster Session")

4.AC.04 Multidimensional Development of Pd-based Catalysts in Acetylene Hydrogenation: Role of Second Element - CatLab Insights (in session "ISC / AC Poster Session")

4.AC.05 Decoding the Structure of Technical Multi-Promoted Ammonia Synthesis Catalysts (in session "ISC / AC Poster Session")

4.AC.06 Advancing Operando Characterization of Interfacial Complexions in Solid Oxide Electrolysis Cells Using LSM Thin Films on YSZ as a Model System (in session "ISC / AC Poster Session")

4.AC.07 Investigation of the electronic structure of NiOx(OH)y under OER by operando XAS and DFT (in session "ISC / AC Poster Session")

4.AC.08 The Working Structure of Cobalt Oxides in Oxidation Reactions (in session "ISC / AC Poster Session")

4.ISC.01 Activating Cu(310) surfaces for CO2RR (in session "ISC / AC Poster Session")

4.ISC.02 Operando Insights of Cu-Pd Catalysts for Electrocatalytic Nitrate Reduction to Ammonia (in session "ISC / AC Poster Session")

4.ISC.03 Influence of Defects on the Active State Formation of Doped Co3-xMxO4 Electrocatalysts during Oxygen Evolution Reaction (in session "ISC / AC Poster Session")

4.ISC.04 Interfacial Charge Dynamics and Catalytic Performance in Epitaxially Grown Cobalt Oxide Films for Enhanced Oxygen Evolution Reaction (in session "ISC / AC Poster Session")

4.ISC.05 Operando Surface X-ray Diffraction for probing the electrochemical double-layer (in session "ISC / AC Poster Session")

4.ISC.06 Entropy-Enthalpy Relationships of the Hydrogen Evolution Reaction (in session "ISC / AC Poster Session")

4.ISC.07 The Impact of Pressure and Bias on the Transition State of the Oxygen Reduction Reaction (in session "ISC / AC Poster Session")

4.ISC.08 Correlated Operando Electron and X-ray Microscopy Experiments for Probing Structure and Chemistry of Electrocatalysts during Reaction (in session "ISC / AC Poster Session")

4.ISC.09 Nitrogen Heterocycle Assemblies on Cu(111) and Ag(111): Towards Organic Modification of Catalytic Surfaces (in session "ISC / AC Poster Session")

4.ISC.10 Altered CO2 Reduction Selectivity and Stabilization of UHV-Prepared Cu(111) Single Crystals by Two-Dimensional Silica Thin Films (in session "ISC / AC Poster Session")

4.ISC.11 Tracking the evolution of Co single atom electrocatalysts using operando XAS and machine learning (in session "ISC / AC Poster Session")

4.ISC.12 Lab-Based Operando X-Ray Absorption Spectroscopy for Thermal- and Electrocatalytic Reactions (in session "ISC / AC Poster Session")

4.ISC.13 Plasma pre-treatment effects on the structure and reactivity of Pt/Al2O3 single-atom catalysts in propane dehydrogenation (in session "ISC / AC Poster Session")

4.ISC.14 Tuning the Cu−ZnO Interaction in ZnO/Cu2O Nanocube Catalysts for Methanol Synthesis (in session "ISC / AC Poster Session")

4.ISC.15 NAP-XPS study of CO2 hydrogenation on “inverse” In2O3(111)/Ru(0001) model catalysts (in session "ISC / AC Poster Session")

4.ISC.16 Role of Step Density and Orientation on Single Crystals in Enhancing Copper Catalysts Surfaces for CO$_2$ Electroreduction (in session "ISC / AC Poster Session")

4.ISC.17 Segregation effects on NiO/Cu(100) and Ni/Cu(100) under CO2 hydrogenation conditions: bringing the quasi in situ and in situ worlds together (in session "ISC / AC Poster Session")

4.ISC.18 Role of Copper in Ni-Cu Catalysts for Methane Dry Reforming (in session "ISC / AC Poster Session")

4.ISC.20 Effects of Interfacial Hydration Layers and Surface Heterogeneities on Electrocatalysis and Viscosity (in session "ISC / AC Poster Session")

Include materials from selected contributions

Events scheduled on*

25/11/2024

26/11/2024

27/11/2024

28/11/2024

Include materials from sessions/contributions scheduled on the selected dates