Efficient and Distributed Computation of Electron Repulsion Integrals on AMD AI Engines

Computing electron repulsion integrals (ERIs) is the major computational bottleneck of many quantum mechanical simulation methods, requiring trillions of ERI evaluations per time step. While the computation of independent ERIs is embarrassingly parallel, the efficient computation of individual ERIs...

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Bibliographic Details

Published in:	Proceedings ... Annual IEEE Symposium on Field-Programmable Custom Computing Machines (Online) pp. 95 - 104
Main Authors:	Menzel, Johannes, Plessl, Christian
Format:	Conference Proceeding
Language:	English
Published:	IEEE 04.05.2025
Subjects:	Artificial intelligence Computational efficiency Electrons Engines Field programmable gate arrays Libraries Memory management Phased arrays Quantum computing Quantum mechanics
ISSN:	2576-2621
Online Access:	Get full text
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