KerneLDI accelerates exchange-correlation integration in Kohn-Sham DFT by up to 10x through block-structured matrix multiplication that exploits spatial locality on GPUs while preserving accuracy.
Optimization of block sparse matrix- vector multiplication on shared-memory parallel architectures
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Accelerating Locality-Driven Integration in Quantum Chemistry with Block-Structured Matrix Multiplication
KerneLDI accelerates exchange-correlation integration in Kohn-Sham DFT by up to 10x through block-structured matrix multiplication that exploits spatial locality on GPUs while preserving accuracy.