Towards Cross-Platform Portability of Coupled-Cluster Methods with Perturbative Triples using SYCL

Abhishek Bagusetty, Ajay Panyala, Gordon Brown, Jack Kirk. Towards Cross-Platform Portability of Coupled-Cluster Methods with Perturbative Triples using SYCL. In IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC, P3HPC@SC 2022, Dallas, TX, USA, November 13-18, 2022. pages 81-88, IEEE, 2022. [doi]

Abstract

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