
Publications of Jörg Neugebauer
All genres
Journal Article (302)
1.
Journal Article
6, 113804 (2022)
Short-range order and phase stability of CrCoNi explored with machine learning potentials. Physical Review Materials 2.
Journal Article
378 (6615), pp. 78 - 85 (2022)
Machine learning–enabled high-entropy alloy discovery. Science 3.
Journal Article
Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. Condensed Matter: Materials Science (2022)
4.
Journal Article
Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. Condensed Matter: Materials Science (2022)
5.
Journal Article
6 (1), 71 (2022)
Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys. npj Materials Degradation 6.
Journal Article
Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys. Condensed Matter: Materials Science (2022)
7.
Journal Article
Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. Condensed Matter: Materials Science (2022)
8.
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 9.
Journal Article
105 (16), 064425 (2022)
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells. Physical Review B 10.
Journal Article
24, 013008 (2022)
Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 11.
Journal Article
6 (1), 014403 (2022)
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 12.
Journal Article
105 (1), 014103 (2022)
Limitations of empirical supercell extrapolation for calculations of point defects in bulk, at surfaces, and in two-dimensional materials. Physical Review B 13.
Journal Article
144 (2), pp. 987 - 994 (2022)
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 14.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)
15.
Journal Article
30 (1), 015002 (2021)
MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations. Modelling and Simulation in Materials Science and Engineering 16.
Journal Article
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 17.
Journal Article
203, 114036 (2021)
Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia 18.
Journal Article
205, 114213 (2021)
Corrigendum to Revealing atomic-scale vacancy-solute interaction in nickel (Scripta Materialia (2021) 203, (114036) (S135964622100316X), (10.1016/j.scriptamat.2021.114036)). Scripta Materialia 19.
Journal Article
27 (6), pp. 1454 - 1464 (2021)
Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 20.
Journal Article
7 (1), 58 (2021)
Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials