cuNNQS-SCI: A Fully GPU-Accelerated Framework for High-Performance Configuration Interaction Selection withNeural Network QQantum States

arXiv:2604.15768v1 Announce Type: cross Abstract: AI-driven methods have demonstrated considerable success in tackling the central challenge of accurately solving the Schr\"odinger equation for complex many-body systems. Among neural network quantum state (NNQS) approaches, the NNQS-SCI (Selected Configuration Interaction) method stands out as a state-of-the-art technique, recognized for its high accuracy and scalability. However, its application to larger systems is severely constrained by a hy