Invited Talks 2021 of the
Theory Department
2022 | 2021 | 2020
Talk (30)
2021
Talk
Bukas, Vanessa Jane: Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis.
(Seminar, Department of Chemistry, University of Warwick, Online Event, Oct 2021).
Talk
Heenen, Hendrik: Mechanistic Implications of Kinetics and Mass Transport in Co(2)R on CU.
(Seminar, Department of Energy Science & Engineering, Daegu Gyeongbuk Institute of Science and Technology, Online Event, Aug 2021).
Talk
Hörmann, Nicolas: Theoretical Description of Non-nernstian Thermodynamic Cyclic Voltammograms.
(72nd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2021).
Talk
Margraf, Johannes: Chemical ML Beyond Established Benchmark Datasets.
(Workshop, ELLIS Machine Learning (ML) for Molecule Discovery, Online Event, Dec 2021).
Talk
Margraf, Johannes: Predicting Molecular Properties Through Machine Learned Energy Functionals.
(Discussion Meeting, GdR REST Machine Learning (ML), Online Event, Dec 2021).
Talk
Margraf, Johannes: Integrating Machine Learning and Electronic Structure Theory.
(FHI-Workshop on Current Research Topics at the FHI, Online Event, Jun 2021).
Talk
Matera, Sebastian: Multilevel Kinetic Monte Carlo Simulation for Charge Transport.
(SIAM-MS21: SIAM Conference on Mathematical Aspects of Materials Science, Online Event, May 2021).
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(Physics Colloquium, Department of Physics, Freie Universität Berlin, Online Event, Jan 2021).
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(Xiamen Theoretical Chemistry Lectures Series, Xiamen University, Online Event, Jan 2021).
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(Horizon 2020-MSCA Workshop, Theoretical Approaches to NanoAlloy Catalysis, Online Event, Mar 2021).
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(Colloquium, Paul Scherrer Institut, Online Event, Mar 2021).
Talk
Reuter, Karsten: From Big Data to Smart Data: Data-Efficient Machine Learning for Materials and Energy Research.
(Electronic Materials and Applications 2021, Online Event, Jan 2021).
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(COST Online Workshop, Multiscale approaches for modeling water splitting with nanocrystals, Online Event, Feb 2021).
Talk
Reuter, Karsten: Knowledge-Based Approaches in Catalysis and Energy Modelling.
(BiGmax Workshop 2021 on Big-Data-Driven Materials Science, Online Event, Apr 2021).
Talk
Reuter, Karsten: First-Principles Based Modeling of Electrocatalysis: The Active Site Challenge.
(UnOCat Summer School, CRC/TRR 247 "Heterogeneous Catalysis in the Liquid Phase", Online Event, Jul 2021).
Talk
Reuter, Karsten: From Big Data to Smart Data: Data-Efficient Machine Learning for Materials and Energy Research.
(New Trends in Computational Chemistry - ed. 2021, Online Event, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(The Materials and Molecular Modelling Hub++ Annual Conference, Online Event, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(DGIST Energy Forum 2021, Online Event, Sep 2021).
Talk
Reuter, Karsten: Current Challenges in First-Principles Based Modelling of Electrocatalysis.
(Catalysis Summit 2021, Filzmoos, Austria, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Colloquium, UniSysCat Excellence Cluster (Unit D), Online Event, Jun 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(MSE's 30th Anniversary Colloquium Series, Nanyang Technological University, Online Event, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(262nd ACS National Meeting & Exposition, Atlanta, GA, USA, Aug 2021).
Talk
Reuter, Karsten: Current Challenges in First-Principles Based Modelling of Electrocatalysis.
(72nd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Workshop, New Trends in Computational Chemistry, Online Event, Sep 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Colloquium, The Fuel Science Center, Excellence Cluster (D), Online Event, Nov 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Workshop, New Trends in Theoretical Materials Research and Chemistry, Berlin-Brandenburg Academy of Sciences and Humanities, Online Event, Nov 2021).
Talk
Reuter, Karsten: Ab Initio Thermodynamics and Heterogeneous Catalysis.
(FHI-aims Tutorial Series, Online Event, Nov 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Archers Conference, Heraklion, Greece, Online Event, Dec 2021).
Talk
Scheurer, Christoph: A View on Buried Functional Interfaces.
(FHI-Workshop on Current Research Topics at the FHI, Online Event, Jun 2021).
Talk
Scheurer, Christoph: The Sensitiviy of NMR Chemical Shifts for Organic/Inorganic Interfaces.
(German-Taiwan Workshop on Advanced Battery Systems, Online Event, Dec 2021).