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

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.