Search Data.gov
Found 5281 dataset(s) matching "computational".
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Dataset and workflow for the Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules. This is associated with manuscript "Construction of Amorphous Structure...
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This dataset contains thermographic measurements acquired during single and multiple track scans on bare substrates and on single layers of powder. The substrates and powder are nickel alloy 625...
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Round1 Holdout DatasetThe data being generated and disseminated is the holdout data used to evaluate trojan detection software solutions. This data, generated at NIST, consists of human level AIs...
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JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density functional theory, machine...
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OOF is software for analyzing the properties of materials with complex microstructures. Starting with a micrograph of a real or simulated material, OOF allows users to assign material properties...
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The datasets include data used in the article "Adhesive contact between a rigid spherical indenter and an elastic multi-layer coated substrate" by Gheorghe Stan and George G Adams in the journal...
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Extensible, public domain software for modeling magnetic behavior of ferromagnetic materials at nanometer resolution. Source code, in C++ and Tcl/Tk, is included.
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This challenge is to predict the macroscopic stress-strain response of compression samples across a range of temperatures taken from the base leg of the IN625 AMB2018-01 build in both the build...
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A SQLite database containing mass absorption coefficient (both discrete and continuous), atomic sub-shell binding energy, X-ray energy, jump ratio, ground-state occupancy, atomic relaxation rate...
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Automated Particle Analysis data sets from a TESCAN MIRA3 with 3 Pulsetor EDS detectors automated using NIST DTSA-II with the SEMantics instrument control extension.The data is in the Zeppelin...
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The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and...
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The Method of Uncertainty Minimization using Polynomial Chaos Expansions (MUM-PCE) was developed as a software tool to constrain physical models against experimental measurements. These models...
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CHiMaD Phase Field - Integrating the phase field community In January 2015 a group of phase field theorists and code developers met at Northwestern University to discuss ways for the community...
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Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.
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The Additive Manufacturing Benchmark Test Series (AM-Bench) is developing a continuing series of controlled benchmark tests, in conjunction with a conference series, with two initial goals: 1) to...
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NeXLUncertainties.jl is a Julia package implementing algorithms for the propagation of uncertainties in multi-variate measurement models.
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This dataset contains the DOIs of the corpus, used for the natural language processing analysis described in the article of the same title. The DOIs all point to articles published in the...
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Round 4 Train DatasetThe data being generated and disseminated is the training data used to construct trojan detection software solutions. This data, generated at NIST, consists of human level AIs...
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Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning...
