Machine learning (ML) is emerging as a powerful tool to predict the properties of materials, including glasses. Informing ML models with knowledge of how glass composition affects short-range atomic structure has the potential to enhance the ability of c
(as for the abbreviation of each alloy, the first number gives the iteration round, and the second represents alloy with the highest EI value in the respective computational loop, e.g., Alloy 1–2 is the alloy with the highest EI value in the second computational loop of the first round...
multiple methods for alloy systems, it does not address dynamical quantities such as phonon dispersion or temperature-composition dependence in phase diagrams. Note that although the GAP framework can be used with arbitrary kernels, for simplicity we will use the GAP abbreviation to mean SOAP-GAP ex...
It is worth mentioning that during the course of concatenating on the basis of the same alloy named entity, the pronoun (e.g., this alloy) and abbreviation (e.g., Cr-5) as alloy named entities in the property extraction result cause difficulty in matching the chemical composition. This is...
The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from literature. We used natural language processing methods to automatically extract material property data from the abstracts of poly
Each abbreviation in the axis label means: S.C. Seebeck coefficient, E.C. electrical conductivity, and T.C. thermal conductivity. Full size image System-identified material descriptor Machine learning methods showed remarkable prediction capabilities in the interpolation problems17,19,22, and we were...
b Schematic illustrations of the lattice-mismatch-free vdW interfaces between 2D materials. c Number of 2D semiconductors publications from 2011 to 2020. (Keywords used for searching “transistor” and the corresponding abbreviation for 2D semiconductors like “MoS2”. Source: Web of Science, accessed...
The abbreviation “CC” stands for a coiled-coil motif. A plus (+) between the first and second number indicates that self-assembly is generated by genetic fusion between two monomers of the primary and secondary building block, versus Interface design with Rosetta. As a visual aid, the ...