Jörg Neugebauer

Physics and Astronomy · Physical Sciences

99h-index44.5kcitations1.3kworks4.12yr avg
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Research Topics

GaN-based semiconductor devices and materials(161), Microstructure and Mechanical Properties of Steels(138), Metal and Thin Film Mechanics(122), Advanced Materials Characterization Techniques(106), Semiconductor materials and devices(96)

Publications1.3k total

Executorlib -- Up-scaling Python workflows for hierarchical heterogenous high-performance computing
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Hydrogen enhanced dislocation cross-slip in polycrystalline nickel
Physical Review Materials·2025Open Access
Computing and Understanding Solvation Effects in Electrochemical Systems from First-Principles and Atomistic Calculations
ECS Meeting Abstracts·2025
<i>(Invited)</i> Advancing Ab Initio Computations to Handle Realistic Electrochemical Interfaces
ECS Meeting Abstracts·2025
Microstructural origin of the simultaneous enhancements in strength and ductility of a nitrogen-doped high-entropy alloy
Acta Materialia·2025· 1 citedOpen Access
Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces
arXiv (Cornell University)·2025Open Access
A high-throughput ab initio study of elemental segregation and cohesion at ferritic-iron grain boundaries
Acta Materialia·2025· 6 citedOpen Access
(<i>Invited</i>) Reaction Mechanisms, Reaction Barriers and Free Energy Surfaces at Electrochemical Solid/Liquid Interfaces from (ab initio) Molecular Dynamics Calculations
ECS Meeting Abstracts·2025
Temperature and misorientation-dependent austenite nucleation at ferrite grain boundaries in a medium manganese steel: role of misorientation-dependent grain boundary segregation
Acta Materialia·2025· 4 cited
Automated generation of structure datasets for machine learning potentials and alloys
npj Computational Materials·2025· 5 citedOpen Access
Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science
Advanced Engineering Materials·2025· 2 citedOpen Access
Executorlib – Up-scaling Python workflows for hierarchical heterogenous high-performance computing
The Journal of Open Source Software·2025Open Access
Development of an atomic cluster expansion potential for iron and its oxides
npj Computational Materials·2025· 7 citedOpen Access
Statistical phase evaluation approach for defect phase diagrams
Physical review. B./Physical review. B·2025Open Access
Hydrogen accommodation and its role in lattice symmetry in a TiNbZr medium-entropy alloy
Acta Materialia·2025· 8 citedOpen Access
Electric Field-Induced Formation of a 2D Adatom Gas on Cryogenic Li Surfaces
arXiv (Cornell University)·2025Open Access
Molecular H<sub>2</sub> as the Reducing Agent in Low-Temperature Oxide Reduction Using Calcium Hydride
Journal of the American Chemical Society·2025· 1 cited
Chemical ordering and magnetism in face-centered cubic CrCoNi alloy
npj Computational Materials·2024· 4 citedOpen Access
Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science
Advanced Engineering Materials·2024· 5 citedOpen Access
Ultrastrong and ductile CoNiMoAl medium-entropy alloys enabled by L12 nanoprecipitate-induced multiple deformation mechanisms
Journal of Material Science and Technology·2024· 10 citedOpen Access
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Frequent Co-authors

Chris G. Van de Walle(11), Blazej Grabowski(10), Dierk Raabe(10), Tilmann Hickel(9), Martin Friák(8), John E. Northrup(8), Matthias Scheffler(7), Fritz Körmann(7), R. M. Feenstra(5), Christoph Freysoldt(4), Stefanie Sandlöbes(4), Arthur R. Smith(4), A. Dick(3), Zongrui Pei(3), Tosja Zywietz(3), David W. Greve(3), Alisson Kwiatkowski da Silva(2), Zhiming Li(2), Dirk Ponge(2), Li Zhu(2)