Invited Talks 2021 of the
Theory Department

Bukas, V. J.: Charge Transfer Mechanisms & Selectivity in Heterogeneous Electrocatalysis. Seminar, Department of Chemistry, University of Warwick, Online Event (2021)

Heenen, H.: 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)

Hörmann, N.: Theoretical Description of Non-nernstian Thermodynamic Cyclic Voltammograms. 72nd Annual Meeting of the International Society of Electrochemistry, Online Event (2021)

Margraf, J.: Chemical ML Beyond Established Benchmark Datasets. Workshop, ELLIS Machine Learning (ML) for Molecule Discovery, Online Event (2021)

Margraf, J.: Predicting Molecular Properties Through Machine Learned Energy Functionals. Discussion Meeting, GdR REST Machine Learning (ML), Online Event (2021)

Margraf, J.: Integrating Machine Learning and Electronic Structure Theory. FHI-Workshop on Current Research Topics at the FHI, Online Event (2021)

Matera, S.: Multilevel Kinetic Monte Carlo Simulation for Charge Transport. SIAM-MS21: SIAM Conference on Mathematical Aspects of Materials Science, Online Event (2021)

Reuter, K.: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Physics Colloquium, Department of Physics, Freie Universität Berlin, Online Event (2021)

Reuter, K.: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Xiamen Theoretical Chemistry Lectures Series, Xiamen University, Online Event (2021)

Reuter, K.: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Horizon 2020-MSCA Workshop, Theoretical Approaches to NanoAlloy Catalysis, Online Event (2021)

Reuter, K.: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems. Colloquium, Paul Scherrer Institut, Online Event (2021)

Reuter, K.: From Big Data to Smart Data: Data-Efficient Machine Learning for Materials and Energy Research. Electronic Materials and Applications 2021, Online Event (2021)

Reuter, K.: 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)

Reuter, K.: Knowledge-Based Approaches in Catalysis and Energy Modelling. BiGmax Workshop 2021 on Big-Data-Driven Materials Science, Online Event (2021)

Reuter, K.: 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)

Reuter, K.: 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)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. The Materials and Molecular Modelling Hub++ Annual Conference, Online Event (2021)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. DGIST Energy Forum 2021, Online Event (2021)

Reuter, K.: Current Challenges in First-Principles Based Modelling of Electrocatalysis. Catalysis Summit 2021, Filzmoos, Austria (2021)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. Colloquium, UniSysCat Excellence Cluster (Unit D), Online Event (2021)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. MSE's 30th Anniversary Colloquium Series, Nanyang Technological University, Online Event (2021)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. 262nd ACS National Meeting & Exposition, Atlanta, GA, USA (2021)

Reuter, K.: Current Challenges in First-Principles Based Modelling of Electrocatalysis. 72nd Annual Meeting of the International Society of Electrochemistry, Online Event (2021)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. Workshop, New Trends in Computational Chemistry, Online Event (2021)

Scheurer, C.: A View on Buried Functional Interfaces. FHI-Workshop on Current Research Topics at the FHI, Online Event (2021)