Invited Talks 2022 of the
Theory Department

2022 | 2021 | 2020

Talk (34)

2022
Talk
Bukas, Vanessa Jane: Diffusion-Controlled Selectivity in Li-Mediated N2 Electroreduction.
(Catalysis and Modelling Symposium, Rungsted, Denmark, Sep 2022).
Talk
Heenen, Hendrik: 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: 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: 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: 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: Towards a Realistic Description of Electrified Solid-Liquid Interfaces.
(DPG Meeting of the Condensed Matter Section (SKM), Regensburg, Germany, Sep 2022).
Talk
Margraf, Johannes: Heterogeneous Catalysis in Grammar School.
(FHI-Workshop on Current Research at the Interface of Physics and Chemistry, Potsdam, Germany, May 2022).
Talk
Margraf, Johannes: Data-Efficient Chemical Machine Learning.
(KAIST Theory Seminar, Seoul, South Korea, Online Event, Jan 2022).
Talk
Margraf, Johannes: Data-Efficient Chemical Machine Learning.
(Institutskolloquium, Institute of Chemistry, University of Potsdam, Online Event, Jan 2022).
Talk
Margraf, Johannes: 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).
Talk
Margraf, Johannes: Predicting Molecular Properties through Machine Learned Energy Functionals.
(ML4M 2022, Young Researcher’s Workshop on Machine Learning for Materials 2022, Trieste, italy, May 2022).
Talk
Margraf, Johannes: Predicting Molecular Properties through Machine Learned Energy Functionals.
(Seminar, VirtMat, Karlsruhe Institute of Technology (KIT), Online Event, Jun 2022).
Talk
Margraf, Johannes: ∆-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
Margraf, Johannes: Science Driven Chemical Machine Learning.
(Seminar, Debye Institute for Nanomaterials Science, Utrecht University, Utrecht, The Netherlands, Nov 2022).
Talk
Matera, Sebastian: From Electrons to the Reactor: Multiscale Modeling for Heterogeneous Catalysis.
(Seminar, Laboratoire de Chimie Physique Matière et Rayonnement, Sorbonne Université, Paris, France, Jul 2022).
Talk
Matera, Sebastian: Multilevel Adaptive Sparse Grids for Parametric Stochastic Models.
(SIAM Annual Meeting (AN22), Pittsburgh, PA, USA, Jul 2022).
Talk
Reuter, Karsten: 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: 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: 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: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(8th UK Catalysis Conference (UKCC2022), Online Event, Jan 2022).
Talk
Reuter, Karsten: 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: Challenges to First-Principles Modelling of Astro and Surface Catalysis.
(Workshop, Astrochemistry meets Surface Science: Theoretical Frontiers, Aarhus, Denmark, Apr 2022).
Talk
Reuter, Karsten: 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: 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: 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: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Psi-k Conference, Lausanne, Switzerland, Aug 2022).
Talk
Reuter, Karsten: Multiscale Modeling in Catalysis.
(CAMD Summer School 2022, Electronic Structure and Materials Design, Helsingør, Denmark, Aug 2022).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(22nd International Vacuum Congress (IVC-22), Sapporo, Japan, Sep 2022).
Talk
Reuter, Karsten: First-Principles Surrogate Models to Tackle Operando Interfacial Electrocatalysis.
(73rd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2022).
Talk
Reuter, Karsten: Exploring Catalytic Reaction Networks with Machine Learning.
(NHR-Atomistic Simulation Symposium 2022, Online Event, Nov 2022).
Talk
Reuter, Karsten: Out of the Crystalline Comfort Zone: Atomistic Modelling of Operando Energy Conversion Systems.
(6th TYC Energy Materials workshop: Modelling Energy Interfaces, London, UK, Dec 2022).
Talk
Scheurer, Christoph: 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: 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: Reshaping Catalysts.
(LINXS Catalysis Workshop, Lund, Sweden, Jun 2022).
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