Publications of Christoph Freysoldt

Journal Article (16)

1.
Journal Article
Saxena, A.; Polin, N.; Kusampudi, N.; Katnagallu, S.; Molina-Luna, L.; Gutfleisch, O.; Berkels, B.; Gault, B.; Neugebauer, J.; Freysoldt, C.: A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data. Microscopy and Microanalysis 29 (5), pp. 1658 - 1670 (2023)
2.
Journal Article
Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. Physical Review B 107 (23), 235413 (2023)
3.
Journal Article
Katnagallu, S.; Freysoldt, C.; Gault, B.; Neugebauer, J.: Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field. Physical Review B 107 (4), L041406 (2023)
4.
Journal Article
Rousseau, L.; Normand, A.; Morgado, F. F.; Scisly Søreide, H.-S. M.; Stephenson, L.; Hatzoglou, C.; Da Costa, G.; Tehrani, K.; Freysoldt, C.; Gault, B. et al.; Vurpillot, F.: Introducing field evaporation energy loss spectroscopy. Communications Physics 6, 100 (2023)
5.
Journal Article
Freysoldt, C.; Neugebauer, J.; Tan, A. M. Z.; Hennig, R. G.: Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 105 (1), 014103 (2022)
6.
Journal Article
Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. Condensed Matter: Materials Science (2022)
7.
Journal Article
Kavanagh, S. R.; Scanlon, D. O.; Walsh, A.; Freysoldt, C.: Impact of metastable defect structures on carrier recombination in solar cells. Faraday Discussions 239, pp. 339 - 356 (2022)
8.
Journal Article
Stender, P.; Gault, B.; Schwarz, T. M.; Woods, E.; Kim, S.-H.; Ott, J.; Stephenson, L.; Schmitz , G.; Freysoldt, C.; Kästner, J. et al.; El-Zoka, A.: Status and Direction of Atom Probe Analysis of Frozen Liquids. Microscopy and Microanalysis, pp. 1 - 18 (2022)
9.
Journal Article
Wang, N.; Freysoldt, C.; Zhang, S.; Liebscher, C.; Neugebauer, J.: Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 27 (6), pp. 1454 - 1464 (2021)
10.
Journal Article
Deißenbeck, F.; Freysoldt, C.; Todorova, M.; Neugebauer, J.; Wippermann, S. M.: Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 126 (13), 136803 (2021)
11.
Journal Article
Gault, B.; Klaes, B.; Morgado, F. F.; Freysoldt, C.; Li, Y.; De Geuser, F.; Stephenson, L.; Vurpillot, F.: Reflections on the Spatial Performance of Atom Probe Tomography in the Analysis of Atomic Neighborhoods. Microscopy and Microanalysis, pp. 1 - 11 (2021)
12.
Journal Article
Hegde, O.; Grabowski, M.; Zhang, X.; Waseda, O.; Hickel, T.; Freysoldt, C.; Neugebauer, J.: Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B 102 (14), 144101 (2020)
13.
Journal Article
Freysoldt, C.; Mishra, A.; Ashton, M. W.; Neugebauer, J.: Generalized dipole correction for charged surfaces in the repeated-slab approach. Physical Review B 102 (4), 045403 (2020)
14.
Journal Article
Ashton, M. W.; Mishra, A.; Neugebauer, J.; Freysoldt, C.: Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 124 (17), 176801 (2020)
15.
Journal Article
Katnagallu, S.; Stephenson, L.; Mouton, I.; Freysoldt, C.; Subramanyam, A. P. A.; Jenke, J.; Ladines, A. N. C.; Neumeier, S.; Hammerschmidt, T.; Drautz, R. et al.; Neugebauer, J.; Vurpillot, F.; Raabe, D.; Gault, B.: Imaging individual solute atoms at crystalline imperfections in metals. New Journal of Physics 21 (12), 123020 (2019)
16.
Journal Article
Grabowski, B.; Ikeda, Y.; Srinivasan, P.; Körmann, F.; Freysoldt, C.; Duff, A. I.; Shapeev, A.; Neugebauer, J.: Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials 5 (1), 80 (2019)
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