Forschungspapier (39)
10421.
Forschungspapier
Learning Rules for Materials Properties and Functions. (2021)
10422.
Forschungspapier
Interpretability of machine-learning models in physical sciences. (2021)
10423.
Forschungspapier
Structure and Morphology of Crystalline Metal Nanoparticles: Polyhedral Cubic Particles. (2021)
10424.
Forschungspapier
Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. (2021)
10425.
Forschungspapier
Scalable multicomponent spectral analysis for high-throughput data annotation. (2021)
10426.
Forschungspapier
Enhanced THz emission from spintronic Fe/Pt emitters through crystal growth optimization. (2020)
10427.
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)
10428.
Forschungspapier
Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)
10429.
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)
10430.
Forschungspapier
Analysis of Topological Transitions in Two-dimensional Materials by Compressed Sensing. (2018)
10431.
Forschungspapier
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. (2018)
10432.
Forschungspapier
First Principles Insights into Amorphous Mg2Sn Alloy Anode for Mg-ion Batteries. (2018)
10433.
Forschungspapier
Observation of spin Nernst photocurrents in topological insulators. (2018)
10434.
Forschungspapier
Anharmonic Coupling between Intermolecular Motions of Water Revealed by Terahertz Kerr Effect. (2017)
10435.
Forschungspapier
Towards a Common Format for Computational Materials Science Data. Psi-k Scientific Highlight Of The Month (131) S. 1 - 16 (2016), 16 S.
10436.
Forschungspapier
Three European Centers of Excellence in Computational Science. Psi-k Scientific Highlight Of The Month (133) S. 1 - 13 (2016), 13 S.
10437.
Forschungspapier
Controlling a diatomic shape resonance with non-resonant light. (2011)
Heft (11)
10438.
Heft
121, (3) (2021)
Special Issue: Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL (Sonderheft). International Journal of Quantum Chemistry 10439.
Heft
61, (1-2) (2018), 141 S.
Size-Selected Clusters as Model Systems for Catalysis (Sonderheft). Topics in Catalysis 10440.
Heft
61, (20) (2018), 163 S.
Beyond Near Ambient Pressure X-ray Photoelectron Spectroscopy (Sonderheft). Topics in Catalysis