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20192023
most citedPythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics

42 citations · 51 across the 3 of their papers we have counts for

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physics.chem-ph2023

Accelerating Pythonic coupled cluster implementations: a comparison between CPUs and GPUs

Maximilian H. Kriebel, Paweł Tecmer, Marta Gałyńska +2

We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Process…