Invited Talks 2021 of the
Theory Department
2022 | 2021 | 2020 | 2019
Talk (25)
2021
Talk
Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis. Seminar, Department of Chemistry, University of Warwick, Online Event (2021)
Talk
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 (2021)
Talk
Theoretical Description of Non-nernstian Thermodynamic Cyclic Voltammograms. 72nd Annual Meeting of the International Society of Electrochemistry, Online Event (2021)
Talk
Chemical ML Beyond Established Benchmark Datasets. Workshop, ELLIS Machine Learning (ML) for Molecule Discovery, Online Event (2021)
Talk
Predicting Molecular Properties Through Machine Learned Energy Functionals. Discussion Meeting, GdR REST Machine Learning (ML), Online Event (2021)
Talk
Integrating Machine Learning and Electronic Structure Theory. FHI-Workshop on Current Research Topics at the FHI, Online Event (2021)
Talk
Multilevel Kinetic Monte Carlo Simulation for Charge Transport. SIAM-MS21: SIAM Conference on Mathematical Aspects of Materials Science, Online Event (2021)
Talk
Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Physics Colloquium, Department of Physics, Freie Universität Berlin, Online Event (2021)
Talk
Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Xiamen Theoretical Chemistry Lectures Series, Xiamen University, Online Event (2021)
Talk
Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Horizon 2020-MSCA Workshop, Theoretical Approaches to NanoAlloy Catalysis, Online Event (2021)
Talk
Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Colloquium, Paul Scherrer Institut, Online Event (2021)
Talk
From Big Data to Smart Data: Data-Efficient Machine Learning for Materials and Energy Research. Electronic Materials and Applications 2021, Online Event (2021)
Talk
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 (2021)
Talk
Knowledge-Based Approaches in Catalysis and Energy Modelling. BiGmax Workshop 2021 on Big-Data-Driven Materials Science, Online Event (2021)
Talk
First-Principles Based Modeling of Electrocatalysis: The Active Site Challenge. UnOCat Summer School, CRC/TRR 247 "Heterogeneous Catalysis in the Liquid Phase", Online Event (2021)
Talk
From Big Data to Smart Data: Data-Efficient Machine Learning for Materials and Energy Research. New Trends in Computational Chemistry - ed. 2021, Online Event (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. The Materials and Molecular Modelling Hub++ Annual Conference, Online Event (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. DGIST Energy Forum 2021, Online Event (2021)
Talk
Current Challenges in First-Principles Based Modelling of Electrocatalysis. Catalysis Summit 2021, Filzmoos, Austria (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. Colloquium, UniSysCat Excellence Cluster (Unit D), Online Event (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. MSE's 30th Anniversary Colloquium Series, Nanyang Technological University, Online Event (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. 262nd ACS National Meeting & Exposition, Atlanta, GA, USA (2021)
Talk
Current Challenges in First-Principles Based Modelling of Electrocatalysis. 72nd Annual Meeting of the International Society of Electrochemistry, Online Event (2021)
Talk
Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. Workshop, New Trends in Computational Chemistry, Online Event (2021)
Talk
A View on Buried Functional Interfaces. FHI-Workshop on Current Research Topics at the FHI, Online Event (2021)