77 datasets found

The dataset contains in situ radiation experiment videos providing real-time observation of defect generation and evolution under extreme conditions.

The dataset used comprises of about 1000 screened singlet fission molecules from previous literature

A dataset with 996 entries, including up to 7 variables regarding both the manufacturing process and environmental conditions for more than 180 days.

High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk...

The dataset used for investigating NMC cathode manufacturing parameters.

The dataset used in this paper is a collection of metal-organic frameworks (MOFs) with simulated CO2 adsorption data.

The JARVIS-DFT database is a collection of density functional theory (DFT) data for various materials.

Crystal structure generation and property optimization

Crystal structure generation and property optimization

Crystal structure generation and property optimization

Gathering 3D material microstructural information is time-consuming, expensive, and energy-intensive. Acquisition of 3D data has been accelerated by developments in serial...

The 3BPA dataset is a benchmark dataset for Equivariant Many-body Interaction operations, consisting of 500 geometries sampled from different temperature molecular dynamics...

The dataset used in the paper is the Concrete Compressive Strength dataset, which contains 3,000 concrete compressive strength test results.

The Inorganic Crystal Structure Database (ICSD) contains information about inorganic crystal structures, including their space group and lattice parameters.

The SuperCon database contains information about superconductors, including their critical temperatures, and is used to train machine learning models to predict the critical...

A collection of 81.1 million scholarly publications in English from various academic fields, used to pre-train a language model.

A dataset of SEM images of polymer blends for miscibility recognition

The dataset consists of 2200 microstructure evolution trajectories by varying several simulation parameters: the deposition rate (v) from 0.3 to 1.0 (in simulation units), the...

A dataset of interatomic potentials for training machine learning models.

The dataset used to train the crystal graph convolutional neural networks (CGCNN) model to visualize the compositional and structural similarities between materials in an...