A parallel Debye scattering engine computes million-atom powder diffraction profiles accurately and quickly using corrected pair-distance binning and CPU/GPU acceleration.
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2026 1verdicts
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AES-Debye: an Accurate, Efficient, and Scalable Engine for Debye Scattering Calculations
A parallel Debye scattering engine computes million-atom powder diffraction profiles accurately and quickly using corrected pair-distance binning and CPU/GPU acceleration.