Computer cluster

计算机集群

• 批准号: 464531296
• 金额: --
• 依托单位: Universität Regensburg
• 依托单位国家: 德国
• 项目类别: Major Research Instrumentation
• 财政年份: 2021
• 资助国家: 德国
• 起止时间: 2020-12-31 至 无数据
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/464531296?language=en
• 关键词: Computer; cluster

The compute cluster will serve as a main tool for code development, testing, benchmarking and small-size production runs for computational studies in condensed matter systems. Two scientific research directions will be pursued. A more applied strand is followed in collaboration with experimental groups. One topic is the effect of topology on electronic structure and transport properties of molecular matter; we will operate, e.g., with the homemade software package AITRANSS. This theme is part of the bigger research field of Molecular Spintronics. Another topic will be particle-hole excitations in molecular and topological matter; to improve the quantitative accuracy of ab-initio based predicitions, we intend to explore the potential of a novel perturbative approach, the timedependent GW-theory. A third topic is devoted to computational studies of the dynamical responses of topological systems and quantum matter under strong driving. The second strand is devoted to more conceptual questions related to dynamical phenomena in quantum matter, with a focus on disorder effects. Also here, three main topics are identified: First, we will investigate disorder induced phase transitions in topological systems including, in particular, the quantum Hall transitions. In a second research direction, we will explore how mean-field interactions affect the critical behavior and the associated phase diagram. Finally, the third line of research is devoted to interaction effects (beyond mean field) on the dynamics in correlated quantum systems.

计算集群将作为凝聚态系统计算研究的代码开发、测试、基准测试和小规模生产运行的主要工具。将开展两个科研方向。一个更实用的链是与实验组合作进行的。一个主题是拓扑结构对分子物质的电子结构和输运性质的影响;我们将操作，例如，使用自制的软件包AITRANSS。这个主题是分子自旋电子学更大研究领域的一部分。另一个主题将是分子和拓扑物质中的粒子-空穴激发;为了提高从头算预测的定量准确性，我们打算探索一种新的微扰方法，时间相关的GW理论的潜力。第三个主题是致力于强驱动下的拓扑系统和量子物质的动力学响应的计算研究。第二股致力于更多的概念性问题，与量子物质的动力学现象有关，重点是无序效应。此外，在这里，确定了三个主要议题：首先，我们将研究拓扑系统中的无序诱导相变，特别是量子霍尔跃迁。在第二个研究方向中，我们将探讨平均场相互作用如何影响临界行为和相关的相图。最后，第三条研究路线致力于相互作用（超越平均场）对相关量子系统动力学的影响。