FusionRCG uses liveness-aware graph orchestration, Cartesian-to-spherical fusion, and multi-tier kernels to cut intermediate data by up to 7.7x and deliver 3.09x SCF speedup on A100 GPUs.
High-performance, high-angular- momentum J engine on graphics processing units
2 Pith papers cite this work. Polarity classification is still indexing.
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A derivation of the Obara-Saika vertical recurrence for Gaussian ERIs is obtained solely from differential relations among basis functions, producing a hierarchical organization of the recursion.
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FusionRCG: Orchestrating Recursive Computation Graphs across GPU Memory Hierarchies
FusionRCG uses liveness-aware graph orchestration, Cartesian-to-spherical fusion, and multi-tier kernels to cut intermediate data by up to 7.7x and deliver 3.09x SCF speedup on A100 GPUs.
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A differential derivation of the Obara-Saika relation for Gaussian electron repulsion integrals
A derivation of the Obara-Saika vertical recurrence for Gaussian ERIs is obtained solely from differential relations among basis functions, producing a hierarchical organization of the recursion.