NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry

Yangjun Wu, Chu Guo, Yi Fan, Pengyu Zhou, Honghui Shang. NNQS-Transformer: an Efficient and Scalable Neural Network Quantum States Approach for Ab initio Quantum Chemistry. In Dorian Arnold, Rosa M. Badia, Kathryn M. Mohror, editors, Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2023, Denver, CO, USA, November 12-17, 2023. ACM, 2023. [doi]

Abstract

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