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A catalog compiling the parameters of 346 open clusters, including their metallicities, positions, ages, and velocities has been composed. The elements of the Galactic orbits for 272 of the clusters have been calculated. Spectroscopic…
Much of our understanding of complex structures is based on simplification: for example, metal-organic frameworks are often discussed in the context of "nodes" and "linkers", allowing for a qualitative comparison with simpler inorganic…
We study the structure of $^{13}$C in the framework of the Cluster Shell Model. A comparison of the available experimental data with our model is made. Some predictions for level ordering and form factors are presented.
Crystal property prediction is a crucial aspect of developing novel materials. However, there are two technical challenges to be addressed for speeding up the investigation of crystals. First, labeling crystal properties is intrinsically…
The Zebrafish Model Organism Database (ZFIN) provides a Web resource of zebrafish genomic, genetic, developmental, and phenotypic data. Four different ontologies are currently used to annotate data to the most specific term available…
The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or…
Crystalline topological phases have recently attracted a lot of experimental and theoretical attention. Key advances include the complete elementary band representation analyses of crystalline matter by symmetry indicators and the discovery…
We describe an online database of number fields which accompanies this paper The database centers on complete lists of number fields with prescribed invariants. Our description here focuses on summarizing tables and connections to…
Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials…
The CHIANTI atomic database was first released in 1996 and has had a huge impact on the analysis and modeling of emissions from astrophysical plasmas. The database has continued to be updated, with version 8 released in 2015. Atomic data…
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…
There is a huge and confusing literature about inorganic crystal structure prediction. The word "prediction" is used sometimes as meaning "structure determination" since the process described needs the knowledge of the chemical composition…
The two published lithium peroxide structures, both ascribed to the hexagonal P -6 space group, were subjected to reinterpretation and another more symmetric structure, now belonging to the P 63/m m c space group, was found. Detailed…
In this paper, we consider the (crystalline) prismatic crystals on a scheme $\mathfrak{X}$. We classify the crystals by $p$-connections on a certain ring and prove a cohomological comparison theorem. This equivalence is more general than…
Nuclear site analysis methods are used to enumerate the normal modes of $ABX_{3}$ perovskite polymorphs with octahedral rotations. We provide the modes of the fourteen subgroups of the cubic aristotype describing the Glazer octahedral tilt…
Harnessing the recent advance in data science and materials science, it is feasible today to build predictive models for materials properties. In this study, we employ the data of high-throughput quantum mechanics calculations based on…
Computational modelling of materials using machine learning, ML, and historical data has become integral to materials research. The efficiency of computational modelling is strongly affected by the choice of the numerical representation for…
Classification and invariants, with respect to basis changes, of finite dimensional algebras are considered. An invariant open, dense (in the Zariscki topology) subset of the space of structural constants is defined. The algebras with…
In this note we introduce a construction which assigns to an arbitrary manifold bundle its fiberwise orientation covering. This is used to show that the zeta classes of unoriented surface bundles are not divisible in the stable range.
The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…