Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI)

Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023 (2025) Poltavsky I, Charkin-Gorbulin A, Puleva M, Fonseca G, Batatia I, Browning NJ, Chmiela S, et al. Journal article Extrapolation to the complete basis-set limit in density-functional theory using statistical learning (2025) Speckhard DT, Carbogno C, Ghiringhelli LM, Lubeck S, Scheffler M, Draxl C Journal article Complexity of CO2 Activation and Reaction on Surfaces in Relation to Heterogeneous Catalysis: A Review and Perspective (2025) Presel F, Paier J, Calaza FC, Nilius N, Sterrer M, Freund HJ Journal article Rationally designed laterally-condensed-catalysts deliver robust activity and selectivity for ethylene production in acetylene hydrogenation (2024) Li Z, Öztuna E, Skorupska K, Vinogradova OV, Jamshaid A, Steigert A, Rohner C, et al. Journal article Reactivity and Stability of Reduced Ir-Weight TiO2-Supported Oxygen Evolution Catalysts for Proton Exchange Membrane (PEM) Water Electrolyzer Anodes (2024) Tran HP, Nong HN, Zlatar M, Yoon A, Hejral U, Rüscher M, Timoshenko J, et al. Journal article Roadmap on data-centric materials science (2024) Bauer S, Benner P, Bereau T, Blum V, Boley M, Carbogno C, Catlow CA, et al. Journal article, Review article NOMAD CAMELS: Configurable Application for Measurements, Experiments and Laboratory Systems (2024) Fuchs A, Lehmeyer J, Junkes H, Weber HB, Krieger M Journal article, Letter Materials Acceleration Platforms (MAPs) Accelerating Materials Research and Development to Meet Urgent Societal Challenges (2024) Stier SP, Kreisbeck C, Ihssen H, Popp MA, Hauch J, Malek K, Reynaud M, et al. Journal article Unravelling the mechanistic complexity of the oxygen evolution reaction and Ir dissolution in highly dimensional amorphous hydrous iridium oxides (2024) van der Merwe M, Lee Y, Wibowo RE, Kokumai T, Efimenko A, Arce MD, Jimenez CE, et al. Journal article Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy (2023) Leitherer A, Yeo BC, Liebscher CH, Ghiringhelli LM Journal article