360 citations
- Physikalisch-Technische BundesanstaltDE14 papers
- Friedrich Schiller University JenaDE11 papers
- Universidad de ValladolidES10 papers
- Centre National de la Recherche ScientifiqueFR9 papers
- Max-Planck-Institut für Nachhaltige MaterialienDE8 papers
- Technische Universität BerlinDE8 papers
- Humboldt-Universität zu BerlinDE7 papers
- Hamburg University of TechnologyDE5 papers
- Technische Universität DresdenDE5 papers
- Częstochowa University of TechnologyPL4 papers
- Deutsches Elektronen-Synchrotron DESYDE4 papers
- Helmholtz-Zentrum Berlin für Materialien und EnergieDE4 papers
112 papers
Machine-learning octet -type binary compounds across chemical space with domain knowledge of the interatomic bond
Rohan Kumar, Mariano D. Forti, Aakash A. Naik +2
The prediction of the structural stability of octet -type binary compounds is a classical materials informatics problem. The challenge is to capture the relative stability of 4…
A critical assessment of bonding descriptors for predicting materials properties
Aakash Ashok Naik, Nidal Dhamrait, Katharina Ueltzen +4
Most machine learning models for materials science rely on descriptors based on materials compositions and structures, even though the chemical bond has been proven to be a valuabl…
Towards knowledge-based workflows: a semantic approach to atomistic simulations for mechanical and thermodynamic properties
Abril Azocar Guzman, Hoang-Thien Luu, Sarath Menon +3
Mechanical and thermodynamic properties, including the influence of crystal defects, are critical for evaluating materials in engineering applications. Molecular dynamics simulatio…
Fully Compensated Lines in Ferrimagnets
Qais Ali, Anna Grünebohm, Halil Ibrahim Sözen +3
We generalize the classic Néel diagram and identify another type of ferrimagnetic phase that remains fully magnetically compensated below the Curie temperature, forming a continuou…
Transport Novelty Distance: A Distributional Metric for Evaluating Material Generative Models
Paul Hagemann, Simon Müller, Janine George +1
Recent advances in generative machine learning have opened new possibilities for the discovery and design of novel materials. However, as these models become more sophisticated, th…
Dynamic precipitation during high-pressure torsion of a magnesium-manganese alloy
Julian M. Rosalie, Anton Hohenwarter
An ultrafine grained magnesium alloy has been produced through room temperature high-pressure torsion (HPT) of solutionised Mg-1.35 wt.%Mn. Dynamic precipitation of nanometer-scale…