This article discusses the issues of cluster policy formation in the Republic of Kazakhstan on the basis of studying the experience of leading countries. The research aim is to find new effective tools and institutions for the development of the clus...
Deep neural network-based deep clustering has achieved remarkable success by unifying representation learning and clustering. However, conventional representation modules are typically not tailored for clustering, resulting in conflicting objectives...
The evaluation of clustering results plays an important role in clustering analysis. Most existing indexes are designed for the evaluation of results from the most-used K-means clustering algorithm; it can identify only spherical clusters rather than...
The present study is a theoretical investigation into the structural evolution, electronic properties, and photoelectron spectra of phosphorus-doped boron clusters PBn0/− (n = 3–17). The results of this study revealed that the lowest ener...
Structural graph clustering is a data analysis technique that groups nodes within a graph based on their connectivity and structural similarity. The Structural graph clustering SCAN algorithm, a density-based clustering method, effectively identifies...
We report the results of an ab initio study of the linear and ring structures of cadmium telluride clusters [CdTe]n (CdnTen) n ≤ 10 within the generalized gradient approximation (GGA) and Purdue–Burke–Ernzerhof (PBE) parameterization w...
Fuzzy clustering has been broadly applied to classify data into K clusters by assigning membership probabilities of each data point close to K centroids. Such a function has been applied into characterizing the clusters associated with a statistical...
The transition point from a two-dimensional (2D) to a three-dimensional (3D) structure in a series of small gold clusters remains a topic of continuing debate. In the present study, coupled-cluster CCSD(T) and DFT calculations are performed to re-exa...
We show that a simple approach to building small computationally inexpensive clusters offers insights on specific structural motifs that stabilize the electronic structure of ZnO. All-electron calculations on ZniOi needle (i = 6, 9, 12, 15, and 18) a...
Calcium-boron systems have excellent properties of hardness, strength, and chemical stability, and we studied a series of CaBn clusters to investigate their structures and relative stability. The results showed the most stable structures of CaBn clus...
Clustering and classification of RNA secondary structures are central to understanding RNA function. However, widely used alignment methods, such as LocARNA and bpRNA-align, are not explicitly designed to exploit the hierarchical relationships among...
We present a computational investigation on the structural arrangements and energetic stabilities of small-size protonated argon clusters, Ar
Rain clusters are mesoscale disaster weather systems, and some of rain clusters have spiral structures. In this paper, a theoretical model of spiral rain cluster is established under pseudo-adiabatic approximation, and its horizontal structure equati...
Facilitated by rapid development of the data-intensive techniques together with communication and sensing technology, we can take advantage of smart card data collected through Automatic Fare Collection (AFC) systems to establish connections between...
Density functional theory (DFT) and coupled cluster theory (CCSD(T)) calculations are performed to investigate the geometric and electronic structures and chemical bonding of a series of Cu-doped zinc oxide clusters: CunZn3O3 (n = 1–4). The str...
This work aims to constitute a framework dataflow based on the prediction, optimization, and characterization of optimal solutions. To this purpose, a metaheuristic optimization method is used to obtain the optimal design solutions for discrete plane...
Gesneriaceae plant family is comprised of resurrection species, namely Boea hygrometrica and Paraboea rufescens, that are native to the Southeast Asia and Haberlea rhodopensis, Ramonda myconi, and Ramonda serbica, which are mainly found in the Balkan...
Doping provides an effective means to tailor the chemical properties of clusters and construct novel functional materials. However, the specific effects of rare-earth doping on the structural evolution and electronic properties of semiconductor clust...
OPTICS is a state-of-the-art algorithm for visualizing density-based clustering structures of multi-dimensional datasets. However, OPTICS requires iterative distance computations for all objects and is thus computed in
Megacity clusters are the key battlegrounds for carbon emission reduction in China, and the polycentric spatial structure of these clusters has a profound impact on their carbon emission intensity. This paper focuses on five major megacity clusters:...
The use of fiber-reinforced polymers (FRP) in civil construction applications with the near-surface mounted (NSM) method has gained considerable popularity worldwide and can produce confident strengthening and repairing systems for existing concrete...
A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeBn0/− (n = 3–16) is performed using particle swarm optimization (CALYPSO) software in combination with den...
Clustering ensemble is a research hotspot of data mining that aggregates several base clustering results to generate a single output clustering with improved robustness and stability. However, the validity of the ensemble result is usually affected b...
Clustering plays a crucial role in data mining and knowledge discovery, where non-negative matrix factorization (NMF) has attracted widespread attention due to its effective data representation and dimensionality reduction capabilities. However, stan...
We have constrained the spatial variation of the fine structure constant using multi-frequency measurements of the thermal Sunyaev-Zeldovich effect of 618 X-ray selected clusters. Although our results are not competitive with the ones from quasar abs...
The structural, electronic and magnetic properties of Cu4M (M = Sc-Ni) clusters have been studied by using density functional theory, together with an unbiased CALYPSO structure searching method. Geometry optimizations indicate that M atoms in the gr...
Controlling the quality of tertiary structures computed for a protein molecule remains a central challenge in de-novo protein structure prediction. The rule of thumb is to generate as many structures as can be afforded, effectively acknowledging that...
STM results showed that Fe atoms were deposited on a Si(111)-7 × 7 reconstructed surface, which was saturated with CH3OH molecules. Fe atomic linear structure was composed of stable clusters and in-situ observed by the scanning tunneling micros...
Cluster structure optimization (CSO) refers to finding the globally minimal cluster structure with respect to a specific model and quality criterion, and is a computationally extraordinarily hard problem. Here we report a successful hybridization of...
How in situ structural reconstructions affect the hydrogen evolution reaction (HER) activity of small Pd clusters is a long-standing problem in the field of heterogeneous catalysis. Herein, we reveal the structural evolution of Pdn (n = 6, 19, 44) cl...
This study develops a framework combining wavelet packet analysis and agglomerative hierarchical clustering (AHC) for debonding identification in concrete-filled steel tubular (CFST) structures. An acoustic–structure coupling model was establis...
The V-centered bicapped hexagonal antiprism structure (A), as the most stable geometry of the cationic V15+ cluster, is determined by using infrared multiple photo dissociation (IR-MPD) in combination with density functional theory computations. It i...
In hyperspectral remote sensing, the clustering technique is an important issue of concern. Affinity propagation is a widely used clustering algorithm. However, the complex structure of the hyperspectral image (HSI) dataset presents challenge for the...
Glutaredoxins (GRXs) are thioredoxin superfamily members exhibiting thiol-disulfide oxidoreductase activity and/or iron-sulfur (Fe-S) cluster binding capacities. These properties are determined by specific structural factors. In this study, we examin...
The structural, electronic, magnetic, and optical properties of Co-doped 10–20-atom silver clusters are investigated by GGA/PBE via the density functional theory. The Ag–Co clusters form core–shell structures with a Co atom in the c...
A new series of alkali-based complexes, AM@GenAu (AM = Li, Na, and K), have been theoretically designed and investigated by means of the density functional theory calculations. The geometric structures and electronic properties of the species are sys...
Quantum-chemical calculation of most important parameters of molecular and electronic structures of tetra-nuclear (pd) metal clusters having Al2M2 composition, where M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, or Zn (bond lengths, bond and torsion angles)...
27 September 2022
The Yellow River Basin serves as China’s primary ecological barrier and economic belt. The achievement of the Yellow River Basin’s “double carbon” objective is crucial to China’s green and low-carbon development. This st...
Three new cluster compounds, Cs2NaAs7, Cs4ZnAs14, and Cs4CdAs14 were obtained from high temperature reactions. Their structures feature heptaarsenide [As7]3– anions, where the clusters in Cs4ZnAs14 and Cs4CdAs14 are dimerized by the linkers Zn and Cd...
Industry cluster’s agglomeration effects facilitate higher productivity for enterprises located in the industry cluster. This paper examines the agglomeration effects of industry cluster on firm’s innovation performance through studying t...
By using the density functional theory (DFT) method at the OPBE/QZVP level, key parameters of molecular structures of six-atomic (heterobi)nuclear metal clusters with an AlnFem composition (n + m = 6) (bond lengths, bond angles, and torsion (dihedral...
The inhomogeneous population distribution appears as various population densities or different types of dynamics in distant sites of the extended habitat and may arise due to, for example, the resettlement features, the internal population structure,...
In order to increase the understanding of the recently synthesized Au70S20(PPh3)12 cluster, we used the divide and protect concept and superatom network model (SAN) to study the electronic and geometric of the cluster. According to the experimental c...
Fe3O4 nanoparticles with cluster structure are superparamagnetic particles with applicability in various high-tech fields. In this study, the influence of surface modification with polyacrylic acid (PAA), a polymeric precursor, on the characteristics...
Proteins are characterized by their structures and functions, and these two fundamental aspects of proteins are assumed to be related. To model such a relationship, a single representation to model both protein structure and function would be conveni...
To elucidate the intrinsic link between the body-centered cubic (BCC) structural stability and the deformation mechanisms of Ti-Mo alloys, first-principles (FP) calculations based on a cluster model are performed for Ti-xMo (x = 2.3, 4.7, 7.8, and 12...
As offshore oil and gas exploration extends into deeper waters and platforms operate over extended service lives, accurate and timely structural health monitoring of deepwater jacket platforms becomes increasingly critical. Rapid construction of a hi...
Black, needle-like single crystals of [Pd@Bi10][AlCl4]4 were synthesized in a one-pot reaction between PdCl2, Bi, and BiCl3 at 180 °C in the Lewis acidic ionic liquid (LAIL) medium [BMIm]Cl∙4.2AlCl4 (BMIm = 1-n-butyl-3-methylimidazolium). S...
To address the small ATC-63 record set for collapse-oriented motion selection and the limited interpretability of data-driven approaches, this study proposes a framework for identifying structural-collapse-critical ground motions. Using 5074 records...
Various data on the structural and thermodynamic characteristics of polynuclear metal clusters containing atoms of aluminum and various d-elements with the general formula AlnMm where (n + m) is 4, 5, or 6, and which can be precursors for the formati...
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