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Zhu, C.; Kurniawan, C.; Ochsendorf, M.; An, D.; Zaefferer, S.; De Graef, M.: Orientation, pattern center refinement and deformation state extraction through global optimization algorithms. Ultramicroscopy 233, 113407 (2022)

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Mendive-Tapia, E.; Neugebauer, J.; Hickel, T.: Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 105 (16), 064425 (2022)

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Khanchandani, H.; El-Zoka, A.; Kim, S.-H.; Tezins, U.; Vogel, D.; Sturm, A.; Raabe, D.; Gault, B.; Stephenson, L.: Laser-equipped gas reaction chamber for probing environmentally sensitive materials at near atomic scale. PLoS One 17 (2), e0262543 (2022)

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Sreekala, L.; Dey, P.; Hickel, T.; Neugebauer, J.: Unveiling nonmonotonic chemical trends in the solubility of H in complex Fe–Cr–Mn carbides by means of ab initio based approaches. Physical Review Materials 6 (1), 014403 (2022)

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Baumgartner, L.-M.; Erbe, A.; Boyle, A. L.; Rabe, M.: Controlling Amphipathic Peptide Adsorption by Smart Switchable Germanium Interfaces. Physical Chemistry Chemical Physics 24 (8), pp. 4809 - 4819 (2022)

Bogdanovski, D.; Poellmann, P. J.; Schneider, J. M.: An ab initio investigation of the temperature-dependent energetic barriers towards CrAlB and (Mo,Cr)AlB formation in a metastable synthesis scenario. Nanoscale 14, pp. 12866 - 12874 (2022)

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Gomell, L.; Tsai, S.-P.; Roscher, M.; Bueno Villoro, R.; Konijnenberg, P. J.; Zaefferer, S.; Scheu, C.; Gault, B.: In-situ nitriding of Fe₂VAl during laser surface remelting to manipulate microstructure and crystalline defects. Physical Review Materials 6 (8), 085405 (2022)