Felix Aertebjerg

Global Plane Waves From Local Gaussians: Periodic Charge Densities in a Blink

We introduce ELECTRAFI, a fast, end-to-end differentiable model for predicting periodic charge densities in crystalline materials. ELECTRAFI constructs anisotropic Gaussians in real space and exploits their closed-form Fourier transforms to analytically evaluate plane-wave coefficients via the Poiss…