Surface Complexions Identified through Machine Learning and Surface InvestigationsJ Timmermann, F Kraushofer, N Resch, P Li, Y Wang, Z Mao, M Riva, ...
Physical review letters 125 (20), 206101, 2020
42 2020 Benchmarks and dielectric constants for reparametrized OPLS and polarizable force field models of chlorinated hydrocarbons Z Liu, J Timmermann, K Reuter, C Scheurer
The Journal of Physical Chemistry B 122 (2), 770-779, 2018
25 2018 Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO2 and RuO2 J Timmermann, Y Lee, CG Staacke, JT Margraf, C Scheurer, K Reuter
The Journal of Chemical Physics 155 (24), 2021
23 2021 Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2 (100)-c (2 × 2 … Y Lee, J Timmermann, C Panosetti, C Scheurer, K Reuter
The Journal of Physical Chemistry C 127 (35), 17599-17608, 2023
3 2023 Iridiumoxid as catalyst in water electrolysis: identification of novel surface structures via machine learning J Timmermann
Technische Universität München, 2022
1 2022 Ab initio modelling of iridium dioxide nanoparticles as catalysts for proton exchange membrane water electrolysis cells J Timmermann, D Opalka, A Anic
High Performance Computing, 60, 0