Invited Talks 2022 of the
Theory Department

2022 | 2021 | 2020

Talk (31)

2022
Talk
Bukas, Vanessa Jane et al.: Diffusion-Controlled Selectivity in Li-Mediated N2 Electroreduction. (Catalysis and Modelling Symposium, Rungsted, Denmark, Sep 2022).
Talk
Heenen, Hendrik et al.: Understanding Liquid Metal Catalysts for Graphene Synthesis Using Machine Learning Interatomic Potentials. (DPG Meeting of the Condensed Matter Section (SKM), Regensburg, Germany, Sep 2022).
Talk
Heenen, Hendrik et al.: Modelling Microkinetics and Mass Transport at the Electrified Solid/Liquid Interface to Elaborate Electrocatalytic Selectivity. (Psi-k Conference, Lausanne, Switzerland, Aug 2022).
Talk
Hörmann, Nicolas et al.: Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes? (FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany, May 2022).
Talk
Hörmann, Nicolas et al.: Resolving the Structure of Cu(100) in Iodine Containing Solutions. (73rd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2022).
Talk
Hörmann, Nicolas et al.: Towards a Realistic Description of Electrified Solid-Liquid Interfaces. (DPG Meeting of the Condensed Matter Section (SKM), Regensburg, Germany, Sep 2022).
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Margraf, Johannes et al.: Heterogeneous Catalysis in Grammar School. (FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany, May 2022).
Talk
Margraf, Johannes et al.: Data-Efficient Chemical Machine Learning. (KAIST Theory Seminar, Seoul, South Korea, Online Event, Jan 2022).
Talk
Margraf, Johannes et al.: Data-Efficient Chemical Machine Learning. (Institutskolloquium, Institute of Chemistry, University of Potsdam, Online Event, Jan 2022).
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Margraf, Johannes et al.: Describing Complex Polar Materials With Physics-Enhanced Machine Learning. (ACS Spring Meeting 2022, Symposium, Complexity in Computational Catalysis: Balancing Model and Method Accuracy: Machine Learning and Kinetic Modeling, Online Event, Mar 2022).
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Margraf, Johannes et al.: Predicting Molecular Properties through Machine Learned Energy Functionals. (ML4M 2022, Young Researcher’s Workshop on Machine Learning for Materials 2022, Trieste, italy, May 2022).
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Margraf, Johannes et al.: Predicting Molecular Properties through Machine Learned Energy Functionals. (Seminar, VirtMat, Karlsruhe Institute of Technology (KIT), Online Event, Jun 2022).
Talk
Margraf, Johannes et al.: ∆-Learning with DFTB: What makes a good baseline? (Workshop, Multi-Scale Quantum Mechanical Analysis of Condensed Phase Systems: Methods and Applications, Telluride Science Research Center, Telluride, CO, USA, Jul 2022).
Talk
Matera, Sebastian et al.: From Electrons to the Reactor: Multiscale Modeling for Heterogeneous Catalysis. (Seminar, Laboratoire de Chimie Physique Matière et Rayonnement, Sorbonne Université, Paris, France, Jul 2022).
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Matera, Sebastian et al.: Multilevel Adaptive Sparse Grids for Parametric Stochastic Models. (SIAM Annual Meeting (AN22), Pittsburgh, PA, USA, Jul 2022).
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Reuter, Karsten et al.: First-Principles Modelling of Electrocatalysis Beyond the Potential of Zero Charge. (News and Views Seminar Series, Condensed Matter and Statistical Physics, ICTP Trieste, Online Event, Feb 2022).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Seminar, Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic, May 2022).
Talk
Reuter, Karsten et al.: First-Principles Based Modelling of Electrocatalysis Beyond the Potential of Zero Charge. (RTG Colloquium, Confinement-controlled Chemistry, Ruhr-Universität Bochum, Online Event, Jun 2022).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (8th UK Catalysis Conference (UKCC2022), Online Event, Jan 2022).
Talk
Reuter, Karsten et al.: From Computational Discovery Toward Data-Driven Design of Molecules and Materials. (4th International Mini-Symposium on Molecular Machine Learning , Online Event, Jan 2022).
Talk
Reuter, Karsten et al.: Challenges to First-Principles Modelling of Astro and Surface Catalysis. (Workshop, Astrochemistry meets Surface Science: Theoretical Frontiers, Aarhus, Denmark, Apr 2022).
Talk
Reuter, Karsten et al.: First-Principles Based Modelling of Electrocatalysis Beyond the Potential of Zero Charge. (Workshop on Electrified Solid/Water Interfaces – Theory Meets Experiment, Kreuth, Germany, May 2022).
Talk
Reuter, Karsten et al.: First-Principles Based Modelling of Electrocatalysis Beyond the Potential of Zero Charge. (RSC Scientific Discussion Meeting, Supercomputer Modelling of Advanced Materials, London, UK, Jun 2022).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Gordon Research Conference, Catalysis - Advancing Sustainable Technologies Through Catalysis, New London, NH, USA, Jun 2022).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Psi-k Conference, Lausanne, Switzerland, Aug 2022).
Talk
Reuter, Karsten et al.: Multiscale Modeling in Catalysis. (CAMD Summer School 2022, Electronic Structure and Materials Design, Helsingør, Denmark, Aug 2022).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (22nd International Vacuum Congress (IVC-22), Sapporo, Japan, Sep 2022).
Talk
Reuter, Karsten et al.: First-Principles Surrogate Models to Tackle Operando Interfacial Electrocatalysis. (73rd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2022).
Talk
Scheurer, Christoph et al.: A Closer Look at the OER Catalyst in Solid-Oxide Electrolyzer Cells. (FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany, May 2022).
Talk
Scheurer, Christoph et al.: Theoretical Stability Descriptors for PEM OER Catalysts. (5th International Workshop On Degradation Issues of Fuel Cells and Electrolysers, Corfu, Greece, May 2022).
Talk
Scheurer, Christoph et al.: Reshaping Catalysts. (LINXS Catalysis Workshop, Lund, Sweden, Jun 2022).
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