Author

Cindy Zhang

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#machine learning Preprint Sep 2026

Scaling Density Functional Theory with Gaussian Splatting

Density functional theory (DFT) strikes a practical balance between accuracy and computational cost in many problems of computational chemistry and materials science. However, many DFT calculations are limited by fixed atom-centered basis sets, which dictate how accuracy and cost scale with system size. We propose Gaus...

Andrés Guzmán-Cordero, Cindy Zhang, Majdi Hassan et al. · 0 citations