学术报告会（2021年第11期：武汉大学袁声军教授）
应0638太阳集团官网夏帆教授的邀请，武汉大学物理科学与技术学院袁声军教授到我院做学术报告。
报告题目：Large-Scale Modeling of Complex Quantum Systems（复杂量子系统的大尺度模拟）
报告时间：7月16日（周五）
报告地点：未来城材料楼110会议室
专家简介：
袁声军，武汉大学物理科学与技术学院教授，荷兰奈梅亨大学和北京计算科学中心客座教授。主要的研究领域为计算物理学、凝聚态理论和高性能科学计算，包括发展针对复杂量子体系的多尺度模拟方法，发展针对量子多体问题的计算方法，低维量子体系的电学、光学、输运和等离基元性质，通用量子计算机模拟，强关联自旋系统的弛豫和退相干等等。
报告摘要：
A common approach to solve a problem in quantum mechanics usually starts by looking for solutions to the time-independent Schrödinger equation. Observable quantities or physical properties can be derived directly using eigenfunctions obtained from the diagonalization of the Hamiltonian matrix. However, as the costs of memory and CPU time in diagonalization processes are not linearly dependent on the dimension of the Hamiltonian matrix, this approach is unfavorable or even inapplicable for complex quantum systems. In this talk, I will show a new approach for modeling of complex quantum systems without any diagonalization. As an example, I will focus on problems in condensed matter physics and introduce the so-called tight-binding propagation method (TBPM). TBPM is based on the numerical solution of the time-dependent Schrödinger equation, with linearly scaling of the computational cost on system size. It has significant advantages in the modeling of large and complex quantum structures, ranging from mesoscopic to macroscopic level, without the requirement of any symmetry. I will give a general introduction of the method and show its applications in studying of two-dimensional materials, heterostructures, fractals, quasicrystals, and superstructures. I will also show how to combine TBPM with other well-known numerical methods such as density functional theory and molecular dynamics. At last, I will give a brief introduction of our large-scale simulation package, which will be launched soon by mid-2021.
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2021-7-10