Publications of Jörg Neugebauer
All genres
Journal Article (315)
1.
Journal Article
14 (1), 7410 (2023)
Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography. Nature Communications 2.
Journal Article
29 (5), pp. 1658 - 1670 (2023)
A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data. Microscopy and Microanalysis 3.
Journal Article
7, 095802 (2023)
Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys. Physical Review Materials 4.
Journal Article
107 (23), 235413 (2023)
Accurate computation of chemical contrast in field ion microscopy. Physical Review B 5.
Journal Article
5, 034004 (2023)
Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1−x)13. Journal of Physics: Energy 6.
Journal Article
3 (3), pp. 221 - 229 (2023)
Simulating short-range order in compositionally complex materials. Nature Computational Science 7.
Journal Article
3 (3), pp. 198 - 209 (2023)
Accelerating the design of compositionally complex materials via physics-informed artificial intelligence. Nature Computational Science 8.
Journal Article
107, 104103 (2023)
Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium. Physical Review B 9.
Journal Article
7 (1), 014410 (2023)
Combined ab initio and experimental screening of phase stabilities in the Ce–Fe–Ti–X system (X=3d and 4d metals). Physical Review Materials 10.
Journal Article
107 (4), L041406 (2023)
Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field. Physical Review B 11.
Journal Article
107 (1), 014301 (2023)
Anharmonicity in bcc refractory elements: A detailed ab initio analysis. Physical Review B 12.
Journal Article
Metastable defect phase diagrams as a tool to describe chemically driven defect formation: Application to planar defects. arXiv preprint arXiv:2303.07504 (2023)
13.
Journal Article
6 (11), 113804 (2022)
Short-range order and phase stability of CrCoNi explored with machine learning potentials. Physical Review Materials 14.
Journal Article
378 (6615), pp. 78 - 85 (2022)
Machine learning–enabled high-entropy alloy discovery. Science 15.
Journal Article
Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. Condensed Matter: Materials Science (2022)
16.
Journal Article
Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. Condensed Matter: Materials Science (2022)
17.
Journal Article
6 (1), 71 (2022)
Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys. npj Materials Degradation 18.
Journal Article
Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. Condensed Matter: Materials Science (2022)
19.
Journal Article
105 (18), 184111 (2022)
Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping. Physical Review B 20.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B