Computer cluster

该计算集群将作为代码开发、测试、基准测试和小型生产运行的主要工具，用于凝聚态系统的计算研究。将开展两个科学研究方向。一种更实用的方法是与实验小组合作。一个主题是拓扑结构对分子物质电子结构和输运性质的影响；例如，我们将使用自制的软件包AITRANSS进行操作。这个主题是更大的分子自旋电子学研究领域的一部分。另一个主题将是分子和拓扑物质中的粒子-空穴激发；为了提高基于从头算的预测的定量准确性，我们打算探索一种新的微扰方法的潜力，即随时间变化的gw理论。第三个主题致力于拓扑系统和量子物质在强驱动下的动态响应的计算研究。第二部分致力于与量子物质中的动力学现象有关的更多概念性问题，重点是无序效应。此外，本文确定了三个主要主题：首先，我们将研究拓扑系统中无序诱导的相变，特别是量子霍尔相变。在第二个研究方向上，我们将探索平均场相互作用如何影响临界行为和相关的相图。最后，第三条研究线致力于相互作用效应（超越平均场）对相关量子系统动力学的影响。

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.