NEMO5中的量子传输:算法改进和高性能实现

Yu He, T. Kubis, M. Povolotskyi, J. Fonseca, Gerhard Klimeck
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引用次数: 9

摘要

在NEMO5多尺度模拟工具中,利用纳米线在紧密结合表示中没有显式自旋轨道耦合的哈密顿量特性,有效地实现了QTBM和NEGF/RGF等量子输运算法。在直径为3nm,长度为20nm的硅纳米线的原子10波段紧密结合表示的基准测试表明,性能比目前的文献状态提高了3-5倍。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Quantum transport in NEMO5: Algorithm improvements and high performance implementation
Quantum transport algorithms such as QTBM and NEGF/RGF have been efficiently implemented in the multi-scale simulation tool NEMO5 by taking advantage of the Hamiltonian's characteristics of nanowires without explicit spinorbit coupling in the tight binding representation. Benchmarks in a 3nm diameter, 20 nm length Si nanowire in atomistic 10 band tight binding representation demonstrate 3-5 times performance improvement over the current state of the literatures.
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