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Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX 3 Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide2022 The Journal of Physical Chemistry Letters article Engineering Perovskite Materials and Applications
Roger A. De Souza, Dennis Kemp, Matthew J. Wolf, Amr H. H. Ramadan
11citations -
Synthetic 4D STEM dataset based on a SrTiO3 supercell with two additional artificial spatial frequencies2021 Zenodo (CERN European Organization for Nuclear Research) dataset Biochemistry, Genetics and Molecular Biology Advanced Electron Microscopy Techniques and Applications Open access
Achim Strauch, Dieter Weber, Alexander Clausen, Knut Müller‐Caspary
0citations -
Synthetic 4D STEM dataset based on a SrTiO3 supercell with two additional artificial spatial frequencies2021 Zenodo (CERN European Organization for Nuclear Research) dataset Biochemistry, Genetics and Molecular Biology Advanced Electron Microscopy Techniques and Applications Open access
Achim Strauch, Dieter Weber, Alexander Clausen, Knut Müller‐Caspary
0citations -
The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
4citations -
The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations2021 JuSER (Forschungszentrum Jülich) dataset Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
1citations
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