Invited Talks 2021 of the
Theory Department

2022 | 2021 | 2020

Talk (30)

2021
Talk
Bukas, Vanessa Jane et al.: Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis. (Seminar, Department of Chemistry, University of Warwick, Online Event, Oct 2021).
Talk
Heenen, Hendrik et al.: 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 et al.: Theoretical Description of Non-nernstian Thermodynamic Cyclic Voltammograms. (72nd Annual Meeting of the International Society of Electrochemistry, Online Event, Sep 2021).
Talk
Margraf, Johannes et al.: Chemical ML Beyond Established Benchmark Datasets. (Workshop, ELLIS Machine Learning (ML) for Molecule Discovery, Online Event, Dec 2021).
Talk
Margraf, Johannes et al.: Predicting Molecular Properties Through Machine Learned Energy Functionals. (Discussion Meeting, GdR REST Machine Learning (ML), Online Event, Dec 2021).
Talk
Margraf, Johannes et al.: Integrating Machine Learning and Electronic Structure Theory. (FHI-Workshop on Current Research Topics at the FHI, Online Event, Jun 2021).
Talk
Matera, Sebastian et al.: 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 et al.: 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 et al.: 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 et al.: 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 et al.: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. (Colloquium, Paul Scherrer Institut, Online Event, Mar 2021).
Talk
Reuter, Karsten et al.: 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 et al.: 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 et al.: Knowledge-Based Approaches in Catalysis and Energy Modelling. (BiGmax Workshop 2021 on Big-Data-Driven Materials Science, Online Event, Apr 2021).
Talk
Reuter, Karsten et al.: 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 et al.: 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 et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (The Materials and Molecular Modelling Hub++ Annual Conference, Online Event, Sep 2021).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (DGIST Energy Forum 2021, Online Event, Sep 2021).
Talk
Reuter, Karsten et al.: Current Challenges in First-Principles Based Modelling of Electrocatalysis. (Catalysis Summit 2021, Filzmoos, Austria, Sep 2021).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Colloquium, UniSysCat Excellence Cluster (Unit D), Online Event, Jun 2021).
Talk
Reuter, Karsten et al.: 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 et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (262nd ACS National Meeting & Exposition, Atlanta, GA, USA, Aug 2021).
Talk
Reuter, Karsten et al.: 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 et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Workshop, New Trends in Computational Chemistry, Online Event, Sep 2021).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Colloquium, The Fuel Science Center, Excellence Cluster (D), Online Event, Nov 2021).
Talk
Reuter, Karsten et al.: 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 et al.: Ab Initio Thermodynamics and Heterogeneous Catalysis. (FHI-aims Tutorial Series, Online Event, Nov 2021).
Talk
Reuter, Karsten et al.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. (Archers Conference, Heraklion, Greece, Online Event, Dec 2021).
Talk
Scheurer, Christoph et al.: A View on Buried Functional Interfaces. (FHI-Workshop on Current Research Topics at the FHI, Online Event, Jun 2021).
Talk
Scheurer, Christoph et al.: The Sensitiviy of NMR Chemical Shifts for Organic/Inorganic Interfaces. (German-Taiwan Workshop on Advanced Battery Systems, Online Event, Dec 2021).
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