Highly Scalable Quantum Transfer Matrix Simulations of Molecule-Based Nanomagnets on a Parallel IBM BlueGene/P Architecture

M. Antkowiak, Ł. Kucharski, R. Matysiak, G. Kamieniarz
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引用次数: 1

Abstract

In this work we present a very efficient scaling of our two applications based on the quantum transfer matrix method which we exploited to simulate the thermodynamic properties of Cr9 and Mn6 molecules as examples of the uniform and non-uniform molecular nanomagnets. The test runs were conducted on the IBM BlueGene/P supercomputer JUGENE of the Tier-0 performance class installed in the Jülich Supercomputing Centre.
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基于并行IBM BlueGene/P架构的分子纳米磁体的高可扩展量子转移矩阵模拟
在这项工作中,我们提出了一个基于量子转移矩阵方法的非常有效的缩放我们的两个应用程序,我们利用它来模拟Cr9和Mn6分子的热力学性质,作为均匀和非均匀分子纳米磁体的例子。测试运行在安装在j lich超级计算中心的Tier-0性能级别的IBM BlueGene/P超级计算机JUGENE上进行。
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