SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations

Python Submitted 23 November 2024 • Published 09 June 2025
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Authors

Tian Tian (0000-0003-0634-0455), Lucas R. Timmerman (0000-0001-5664-5762), Shashikant Kumar (0009-0001-5134-1580), Ben Comer (0000-0002-7528-0049), Andrew J. Medford (0000-0001-8311-9581), Phanish Suryanarayana (0000-0001-5172-0049)

Citation

Tian et al., (2025). SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations. Journal of Open Source Software, 10(110), 7747, https://doi.org/10.21105/joss.07747

@article{Tian2025, doi = {10.21105/joss.07747}, url = {https://doi.org/10.21105/joss.07747}, year = {2025}, publisher = {The Open Journal}, volume = {10}, number = {110}, pages = {7747}, author = {Tian Tian and Lucas R. Timmerman and Shashikant Kumar and Ben Comer and Andrew J. Medford and Phanish Suryanarayana}, title = {SPARC-X-API: Versatile Python Interface for Real-space Density Functional Theory Calculations}, journal = {Journal of Open Source Software} }
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Density Functional Theories Atomistic Simulations Atomic Simulation Environment Socket Interface

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Journal of Open Source Software is part of Open Journals, which is a NumFOCUS-sponsored project.

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