Forschungspapier (40)
10381.
Forschungspapier
Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models. (2023)
10382.
Forschungspapier
Unraveling the Formation Mechanism of Oxygen Vacancy on the Surface of Transition Metal-Doped Ceria Utilizing Artificial Intelligence. (2023), 14 S.
10383.
Forschungspapier
Roadmap on Electronic Structure Codes in the Exascale Era. (2022)
10384.
Forschungspapier
Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications. (2022)
10385.
Forschungspapier
In situ genesis of selective adsorption sites by complex catalytic redox dynamics. (2022)
10386.
Forschungspapier
Circular photogalvanic effects in topological insulator/ferromagnet hybrid structures. (2022)
10387.
Forschungspapier
Sulfur- and boron-containing porous donor-acceptor polymers for photocatalytic hydrogen evolution. (2022)
10388.
Forschungspapier
Learning Rules for Materials Properties and Functions. (2021)
10389.
Forschungspapier
Interpretability of machine-learning models in physical sciences. (2021)
10390.
Forschungspapier
Structure and Morphology of Crystalline Metal Nanoparticles: Polyhedral Cubic Particles. (2021)
10391.
Forschungspapier
Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. (2021)
10392.
Forschungspapier
Scalable multicomponent spectral analysis for high-throughput data annotation. (2021)
10393.
Forschungspapier
Enhanced THz emission from spintronic Fe/Pt emitters through crystal growth optimization. (2020)
10394.
Forschungspapier
The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search. (2019)
10395.
Forschungspapier
Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)
10396.
Forschungspapier
Excited state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV based time- and angle-resolved photoemission spectroscopy. (2019)
10397.
Forschungspapier
Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. (2018)
10398.
Forschungspapier
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. (2018)
10399.
Forschungspapier
First Principles Insights into Amorphous Mg2Sn Alloy Anode for Mg-ion Batteries. (2018)
10400.
Forschungspapier
Observation of spin Nernst photocurrents in topological insulators. (2018)