Publications of Joerg Neugebauer
All genres
Journal Article (72)
21.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)
22.
Journal Article
Computationally accelerated experimental materials characterization -- drawing inspiration from high-throughput simulation workflows. Condensed Matter: Materials Science (2022)
23.
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 24.
Journal Article
7 (1), 34 (2021)
Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 25.
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 26.
Journal Article
7 (1), 58 (2021)
Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 27.
Journal Article
5 (5), 053803 (2021)
B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 28.
Journal Article
126 (16), 166802 (2021)
Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 29.
Journal Article
5 (4), 044605 (2021)
Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations. Physical Review Materials 30.
Journal Article
14 (8), 1837 (2021)
A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 31.
Journal Article
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 32.
Journal Article
31 (7), 2007668 (2021)
Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 33.
Journal Article
187 (11), 110065 (2021)
A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 34.
Journal Article
104 (18), 184107 (2021)
Impact of magnetic transition on Mn diffusion in alpha-iron: Correlative state-of-the-art theoretical and experimental study. Physical Review B 35.
Journal Article
Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials, 2102638 (2021)
36.
Journal Article
Origins of the hydrogen signal in atom probe tomography. Condensed Matter: Materials Science (2021)
37.
Journal Article
6, 191 (2020)
Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 38.
Journal Article
4, 113802 (2020)
Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 39.
Journal Article
102 (14), 144101 (2020)
Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B 40.
Journal Article
4 (8), 083604 (2020)
Phase diagram of grain boundary facet and line junctions in silicon. Physical Review Materials