Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
669
datasets available to search
ShareScore release 0.9.0
Dataset results
669 results for “ATOM”
Data for "Atomic physics on a 50 nm scale: Realization of a bilayer system of dipolar atoms"
<p>One can find:</p> <p>(1) The tabular data for every plot in the main article and the supplementary material of "Atomic physics on a 50 nm scale: Realization of a bilayer system of dipolar atoms" (arXiv:2302.07209).</p> <p>(2) The Mathematica and Jupyter notebook files for generating theoretical curves and for analyzing experimental data.</p>
Optimized atomic coordinates of CO covered Ru(0001) at high coverage
<p>Optimized atomic coordinates of CO covered Ru(0001) from VASP calculations. </p>
Phonon-assisted coherent transport of excitations in Rydberg-dressed atom arrays
<p>Data corresponding to the article 'Phonon-assisted coherent transport of excitations in Rydberg-dressed atom arrays'.</p> <p>File description:</p> <ul> <li> <p>data_experimental_single_run.zip - numerical data corresponding to Fig. 2 and Fig. 3</p> </li> <li> <p>data_general_phase_diagram_dense_grid.zip - numerical data corresponding to Fig. 4</p> </li> <li>data_general_phase_diagram_dense_grid_zoom.zip - numerical data corresponding to Fig. 5</li> <li> <p>data_general_single_run_reply.zip - numerical data corresponding to Fig. 6 and Fig. 7</p> </li> </ul>
Data for the paper "Microcanonical and canonical fluctuations in atomic Bose-Einstein condensates – Fock state sampling approach"
Open the record for dataset details and reuse information.
Energy and forces annotated atomic structures of platinum using first-principles calculations
<p>Dataset for training machine learning potential of platinum.</p> <p>Detailed explanation of data generation is described in the preprint. below</p> <p>Chun, H., Kang, J., Kang, D., Heo, J., Cho, H., Heo, J., … & Han, B. (2022). Tracking the 3d atomic structures during thermal treatment and catalytic activity of individual pt nanoparticles.. https://doi.org/10.21203/rs.3.rs-1441062/v1</p>
Research data for "Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning"
<p>This dataset contains structural data and ML local energies for the publication "Understanding Defects in Amorphous Silicon with Million-Atom Simulations and Machine Learning". Details of the contents can be found in README.txt. Code to analyse structures and reproduce figures from the publication are available at https://github.com/MorrowChem/understanding_defects</p>
Atomically dispersed hexavalent iridium oxide from MnO2 reduction for oxygen evolution catalysis
<p>Hexavalent iridium (Ir<sup>VI</sup>) oxide is predicted to be more active and stable than any other Ir oxide for the oxygen evolution reaction in acid; however, its experimental realization remains challenging. Here, we report the synthesis, characterization, and application of atomically dispersed Ir<sup>VI</sup> oxide (Ir<sup>VI</sup>-<em>ado</em>) for proton-exchange membrane (PEM) water electrolysis. The Ir<sup>VI</sup>-<em>ado</em> was synthesized by oxidatively substituting the ligands of K<sub>2</sub>IrCl<sub>6</sub> with manganese oxide. The mass-specific activity (1.7 × 10<sup>5</sup> A g<sub>Ir</sub><sup>-1</sup>) and turnover number (1.5 × 10<sup>8</sup>) exceeded those of benchmark Ir oxides, and <em>in-siu</em> X-ray analysis during PEM operations manifested the durability of Ir<sup>VI</sup> at current densities up to 2.3 A cm<sup>-2</sup>. The high activity and stability of Ir<sup>VI</sup>-<em>ado</em> showcase its promise as an anode material for PEM electrolysis.</p>
Imaging surface structure and premelting of ice Ih with atomic resolution
<p>Here lies the tabulated data and the MD trajectories used to create the Figures for the Nature manuscript 2023-08-14175 titled "Imaging surface structure and premelting of ice Ih with atomic resolution".</p>
Measuring gravitational attraction with a lattice atom interferometer
<p>Data for article "Measuring gravity by holding atoms", Arxiv ID: https://arxiv.org/abs/2310.01344</p>
Rational design of optimal bimetallic and trimetallic nickel-based single-atom alloys for bio-oil upgrading toward hydrogen production
<p>Supplementary Data for the "Rational design of optimal <em>bimetallic</em> and <em>trimetallic</em> nickel-based single-atom alloys for bio-oil upgrading toward hydrogen production".</p>
Atomic data for SIKE
<div> <p>This is a repository of atomic data (levels, transitions, cross-sections, etc) for use with the atomic kinetic solver SIKE (https://github.com/plasdom/SIKE). This is used for calculating equilibrium atomic state distributions in magnetic fusion plasmas with impurities. </p> <p>It has been assembled with inputs from:<br>- FAC (Gu, M. Canadian Journal of Physics (2004))<br>- FLYCHK (Chung, H. et al. High Energy Density Physics (2005))</p> <p> </p> <p>See the following preprint for further details: https://arxiv.org/abs/2410.00651</p> </div>
Computational Data: Accurately computed dimerization trends of ALD precursors and their impact on surface reactivity in area-selective atomic layer deposition
<p><span>The Lewis acidic nature of aluminum atoms in common precursors for the atomic layer deposition (ALD) of Al<sub>2</sub>O<sub>3</sub> can lead to dimerization. This study investigates whether these compounds predominantly exist as monomers or dimers under ALD conditions. Understanding dimerization is crucial for discussing precursor reactivities and other properties, especially in the context of area-selective ALD (AS-ALD). We employed a theoretical approach, incorporating conformer search, density functional theory, and coupled cluster calculations, to determine the dissociated dimer fraction for a range of precursors under typical ALD pressures and temperatures. The precursors studied include aluminum alkyls, chlorinated aluminum alkyls, dimethylaluminumisopropoxide (DMAI), and trisdimethylamidoaluminum (TDMAA). Our findings indicate that aluminum alkyls are completely dissociated over the whole parameter range, while DMAI and TDMAA form stable dimers. Chlorinated precursors were found to exist in both monomeric and dimeric forms depending on temperature and pressure.</span></p>
A cavity-microscope for micrometer-scale control of atom-photon interactions
<p>Data corresponding to the article "A cavity-microscope for micrometer-scale control of atom-photon interactions".</p>
Movies for Atomizing pulsed jet paper
Open the record for dataset details and reuse information.
Data and code for "Hydrogen-driven Surface Segregation in Pd-alloys from Atomic Scale Simulations"
<p>This record contains data and scripts pertaining to the publication "Hydrogen-driven Surface Segregation in Pd-alloys from Atomic Scale Simulations".</p>
THE ATOMIC RACE DURING THE SECOND WORLD WAR
<p>The article examines the race for the possession of atomic weapons, which unfolded between Nazi Germany and the United States during the Second World War. The chronology of events shows that Nazi Germany was in the lead in the atomic race in 1940 and 1941. After the defeat of the Fascist troops near Moscow in December 1941, Hitler ordered to mobilize all resources for current military needs. At a time when the fighting on the Eastern Front was pulling more and more financial and human resources out of the Reich, the Nazi leadership came to the conclusion that the creation (and even more so the use) of nuclear weapons during the Second World War are no longer possible. If the United States (a huge rich country without military operations on its territory) intensified work on the nuclear project every month, then the Third Reich, on the contrary, conducted it according to the residual principle. The authors conclude that the main force that prevented the Nazis from unleashing atomic death on the world was the Soviet Union, which made a decisive contribution to the defeat of fascism.</p>
United Atom Parameters for United Atom Multiscale Modelling Of Bio-Nano Interactions Of Zero-Valent Silver Nanoparticles
<p>Short-range surface adsorption potentials of carbohydrates, lipid fragments, and amino acid side chains in tabulated form.</p> <p>Calculated via AWT-MetaD (Gromacs/Plumed).</p> <p>Force Fields: INTERFACE/CHARMM36.</p> <p>Material: zero-valent silver</p>
Raw data repository for the article: "Spatially resolved fluorescence of caesium lead halide perovskite supercrystals reveals quasi-atomic behavior of nanocrystals"
<p>Raw data depository for the article in Nature Communications journal: <a href="https://doi.org/10.1038/s41467-022-28486-3">DOI: 10.1038/s41467-022-28486-3</a>. Details and the file description are given in the file "Lapkin_Dataset_Info.pdf"</p>
i-Tasser 3D Strucutres of Blood Plasma Proteins for United Atom Multiscale Modelling Of Bio-Nano Interactions
<p>3D Structures of blood plasma proteins as per proteomic data on protein corona for AgNPs presented in this publication:</p> <blockquote> <p>Gorshkov V, Bubis JA, Solovyeva EM, Gorshkov M, KjeldsenF. Protein corona formed on silver nanoparticles in blood plasma is highly selective and resistant to physicochemical changes of the solution. Environ. Sci.: Nano, 2019,6, 1089-1098. doi: 10.1039/C8EN01054D</p> </blockquote> <p>Note, that the dataset is different from the one used in this publication:</p> <blockquote> <p>Alsharif SA, Power D, Rouse I, Lobaskin V. In Silico Prediction of Protein Adsorption Energy on Titanium Dioxide and Gold Nanoparticles. Nanomaterials (Basel). 2020 Oct 4;10(10):1967. doi: 10.3390/nano10101967.</p> </blockquote> <p>Files were prepared with I-TASSER utility:</p> <blockquote> <p>J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8 (2015).</p> </blockquote> <p> </p>
United Atom Parameters for United Atom Multiscale Modelling Of Bio-Nano Interactions Of Zero-Valent Copper Nanoparticles
<p>Short-range surface adsorption potentials of carbohydrates, lipid fragments, and amino acid side chains in tabulated form.</p> <p>Calculated via AWT-MetaD (Gromacs/Plumed).</p> <p>Force Fields: INTERFACE/CHARMM36.</p> <p>Material: zero-valent copper</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.