239 datasets found

Electronic supplementary materials for the publication stated below. Henry coefficients are calculated by Widom insertion (in RASPA 2.0.47). Contents: - Henry coefficients...

This dataset contains all relevant data to reproduce the results of the paper titled "Capturing reduced-order quantum many-body dynamics out of equilibrium via neural ordinary...

This dataset contains all the necessary information to reproduce the results presented in the manuscript "Streamlined Machine Learning Protocol for the Discovery of Singlet...

This dataset contains 9 trained surrogate models across all four disciplines predicting the performance of UTS bay elements and a demo Python script. Model Artifacts Each...

The numerical compass (NC) method integrates kinetic models, global optimization, ensemble methods, and machine learning to identify experimental conditions with the greatest...

Data for reproducing the results in the manuscript "Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der...

The datasets correspond to all data used in the analyses of the paper "Explainable machine learning to identify activity-related, insulin and dietary thresholds for prevention...

This dataset supports the development and validation of machine learning interatomic potentials (MLIPs) for modeling hydrogen diffusion in C14 (hexagonal) and C15 (cubic)...

This dataset contains data models, synthesis procedures, PXRD patterns, and analysis results underlying the article “Data-Model-Driven Management and Analysis of MOF Synthesis...

This repository contains supplemental data for the article Accelerating Conjugate Gradient Solvers for Homogenization Problems with Unitary Neural Operators, accepted for...

This dataset contains Hardware Performance Counters (HwPCs) measurements collected from parallel code regions executing on heterogeneous High Performance Computing platforms....

This dataset supports the development and validation of machine learning interatomic potentials (MLIPs) for modeling hydrogen absorption in C14 (hexagonal) and C15 (cubic)...

The dataset contains key files to reproduce the results presented in the article " Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of...

Data for the publication, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108,...

Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI:...

Python code for the sampling of amorphous thiphosphate-type solid-state electrolytes with arbitrary stoichiometry. The code has been used in the paper "Tackling Structural...

This dataset contains reference implementations in C++ and CUDA for the algorithm presented in the paper "BSP k-Means". The purpose of the data is to allow replication of the...

README body { font-family: system-ui, -apple-system, Segoe UI, Roboto, Helvetica, Arial, sans-serif; line-height: 1.5; padding: 1rem; max-width: 900px; margin:...

This dataset hosts the code, data and models needed for replication of the work mentioned in Jose et al. MLST 2025. In the paper, an ablation study is conducted to delineate the...

This is a structured JSON dataset for training and evaluating AI models for automated subject indexing of research data and linking of research data and publications. It was...