QiankunNet-cuSCI achieves up to 2.32x end-to-end speedup on 64 A100 GPUs for NNQS-SCI while preserving chemical accuracy by fully accelerating global de-duplication and coupled-configuration generation on the device.
Le, Yonghui Wu, and Zhifeng Chen
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A Fully GPU-Accelerated Framework for High-Performance Configuration Interaction Selection with Neural Network Quantum States
QiankunNet-cuSCI achieves up to 2.32x end-to-end speedup on 64 A100 GPUs for NNQS-SCI while preserving chemical accuracy by fully accelerating global de-duplication and coupled-configuration generation on the device.