Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy ...

B2FIND2026-03-19 收录

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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...

Data for: Machine-learning interatomic potentials achieving CCSD(T) accuracy for systems with extended covalent networks and van der Waals interactions

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 Waals interactions". Find

DataCite Commons2026-02-24 更新00

Dataset paper "Flexible Uncertainty Calibration for Machine-Learned Interatomic potential"

Dataset originally generated in the work Flexible Uncertainty Calibration for Machine-Learned Interatomic potential. Data for reproducing the experiments are included in each sub-folders. An examp

Zenodo2026-04-22 更新00

Screening of material defects using universal machine-learning interatomic potentials

This repository presents the two databases presented in the article "Screening of material defects using universal machine-learning interatomic potentials". It contains : README.txt : Text file con

Zenodo2025-07-28 更新00

Dataset paper "Flexible Uncertainty Calibration for Machine-Learned Interatomic potential"

Dataset originally generated in the work Flexible Uncertainty Calibration for Machine-Learned Interatomic potential. Data for reproducing the experiments are included in each sub-folders. An examp

Zenodo2026-04-22 更新00

Transferable long-range interactions in machine-learned interatomic potentials: Dataset

The point-charge datasets contain synthetic configurations of particles with fixed charges (±1e), where energies and forces are dominated by the Coulomb interactions. The PBC-512 dataset consists of 5

Zenodo2025-12-04 更新00