原子模拟软件的使用趋势[第v1.0篇]

Leopold Talirz, L. Ghiringhelli, B. Smit
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引用次数: 7

摘要

在科学研究前所未有的计算能力的推动下,计算机在固态物理、化学和材料科学中的应用不断增加。这篇综述的重点是用于在原子尺度上模拟物质的软件。我们对该领域的主要代码进行了全面的概述,并分析了自2010年以来学术文献中对这些代码的引用是如何演变的。基础数据集的交互式版本可在https://atomistic.software。
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Trends in atomistic simulation software usage [Article v1.0]
Driven by the unprecedented computational power available to scientific research, the use of computers in solid-state physics, chemistry and materials science has been on a continuous rise. This review focuses on the software used for the simulation of matter at the atomic scale. We provide a comprehensive overview of major codes in the field, and analyze how citations to these codes in the academic literature have evolved since 2010. An interactive version of the underlying data set is available at https://atomistic.software .
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