nanoparticle
feni-nanoparticles
Machine learning-based prediction of FeNi nanoparticle magnetization
Public data for "Machine learning-based prediction of FeNi nanoparticle magnetization", F. Williamson et al., Journal of Materials Research and Technology (2024). https://doi.org/10.1016/j.jmrt.2024.10.142.
ML Scripts
ML scripts are available on GitHub.
Data
Nanoparticles were simulated using LAMMPS.
A single LAMMPS input script from this extended repository was modiffied to obtain various NP… See the full description on the dataset page: https://huggingface.co/datasets/Ailurion/feni-nanoparticles.Fe_nanoparticles_PRB_2023
Cite this dataset Jana, R., and Caro, M. A. Fe nanoparticles PRB 2023. ColabFit, 2023. https://doi.org/10.60732/20ba88af
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_5h3810yhu4wj_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.
https://materials.colabfit.org… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/Fe_nanoparticles_PRB_2023.alpha_brass_nanoparticles
Cite this dataset Weinreich, J., Römer, A., Paleico, M. L., and Behler, J. alpha brass nanoparticles. ColabFit, 2023. https://doi.org/10.60732/f127f7e7
This dataset has been curated and formatted for the ColabFit Exchange
This dataset is also available on the ColabFit Exchange:
https://materials.colabfit.org/id/DS_agiti2oe5bqb_0
Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.… See the full description on the dataset page: https://huggingface.co/datasets/colabfit/alpha_brass_nanoparticles.nano-syn-catalytic-nanoparticle-activation-failure-v0.1Goal
Predict catalytic activation failure.
This is the failure mode wherenanoparticles sinter or restructureand activity collapses.
The key signal
Conversion and structure metricsstop moving together.
Inputs
reactor temperature
space velocity
conversion and selectivity
in situ XRD crystallite size
BET surface area
sintering indicator
Required outputs
activation_coherence_score
decoupling_flag
decoupling_type
activity_loss_horizon_hr
sintering_risk
stabilization_intervention_set
Decoupling… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/nano-syn-catalytic-nanoparticle-activation-failure-v0.1.nanoparticle-size-estimation
Nanoparticle Size Estimation Dataset (WebDataset)
100,000 simulated HAADF-STEM images of nanoparticles with three image variants per sample (raw simulation, normalized, and CycleGAN style-transferred), paired with per-structure metadata including atomic coordinates, morphology, and simulation parameters.
Dataset Description
Synthetic HAADF-STEM images of Pt nanoparticles on various support interfaces, generated for nanoparticle size and morphology prediction. Each sample… See the full description on the dataset page: https://huggingface.co/datasets/Stemson-AI/nanoparticle-size-estimation.nano-syn-nanoparticle-surface-ligand-decoupling-v0.1Goal
Detect ligand decoupling.
This is the failure mode where:
Ligand metricsstop predictingfunctional stability and targeting.
A batch can look acceptableby ligand density alonewhile zeta potential, size, and bindingdrift into failure.
Inputs
ligand density
zeta potential
hydrodynamic diameter
aggregation rate
in vitro binding efficiency
stability window
Required outputs
ligand_coherence_score
decoupling_flag
decoupling_type
targeting_failure_probability
aggregation_risk… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/nano-syn-nanoparticle-surface-ligand-decoupling-v0.1.