Author

Brenda M. Rubenstein

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Preprint Aug 2026

Denoising Diffusion Monte Carlo Electron Densities with Physically Informed Variance Stabilization: From Fourier Filters to 3D UNETs

Obtaining accurate electron densities is important for the fundamental description of molecular and condensed matter systems, as well as for the development of next-generation density functionals. Diffusion Monte Carlo (DMC), in particular, is known to produce benchmark-quality data; however, the predicted real-space e...

Kenneth O Berard, Brenda M. Rubenstein, Jaron T. Krogel · 0 citations