SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials

Python Submitted 21 September 2025Published 06 May 2026
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Editor: @espottesmith (all papers)
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Authors

Rahul Verma (0000-0003-4991-8376), Nisarg Joshi (0000-0001-8497-7588), Jim Pfaendtner (0000-0001-6727-2957)

Citation

Verma et al., (2026). SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials. Journal of Open Source Software, 11(121), 9468, https://doi.org/10.21105/joss.09468

@article{Verma2026, doi = {10.21105/joss.09468}, url = {https://doi.org/10.21105/joss.09468}, year = {2026}, publisher = {The Open Journal}, volume = {11}, number = {121}, pages = {9468}, author = {Verma, Rahul and Joshi, Nisarg and Pfaendtner, Jim}, title = {SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials}, journal = {Journal of Open Source Software} }
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Active Learning Machine Learning Interatomic Potentials ASE PLUMED Molecular Dynamics

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ISSN 2475-9066