most citedQuantum Computing for a Profusion of Postman Problem Variants

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physics.comp-ph2024

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

Jean-Luc Fattebert, Christian F. A. Negre, Joshua Finkelstein +6

To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Ra…