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

Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides (2022) Mazheika A, Wang YG, Valero R, Viñes F, Illas F, Ghiringhelli LM, Levchenko SV, Scheffler M Journal article Numerical quality control for DFT-based materials databases (2022) Carbogno C, Thygesen KS, Bieniek B, Draxl C, Ghiringhelli LM, Gulans A, Hofmann OT, et al. Journal article Finding predictive models for singlet fission by machine learning (2022) Liu X, Wang X, Gao S, Chang V, Tom R, Yu M, Ghiringhelli LM, Marom N Journal article The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding (2022) Sbailò L, Fekete Á, Ghiringhelli LM, Scheffler M Journal article Red edge effect and chromoselective photocatalysis with amorphous covalent triazine-based frameworks (2022) Zou Y, Abednatanzi S, Derakhshandeh PG, Mazzanti S, Schüßlbauer C, Cruz D, Van Der Voort P, et al. Journal article TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions (2022) Regler B, Scheffler M, Ghiringhelli LM Journal article Time-resolved terahertz–Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water (2022) Balos V, Kaliannan NK, Elgabarty H, Wolf M, Kühne TD, Sajadi M Journal article Tracking the nanoparticle exsolution/reoxidation processes of Ni-doped SrTi0.3Fe0.7O3-delta electrodes for intermediate temperature symmetric solid oxide fuel cells (2022) Santaya M, Jimenez CE, Esteban Troiani H, Carbonio EA, Damian Arce M, Maria Toscani L, Garcia-Diez R, et al. Journal article Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100) (2022) Zhou Y, Zhu C, Scheffler M, Ghiringhelli LM Journal article Average power scaling of THz spintronic emitters efficiently cooled in reflection geometry (2022) Vogel T, Omar A, Mansourzadeh S, Wulf F, Sabanes NM, Muller M, Seifert TS, et al. Journal article