Computational Condensed Matter Physics Laboratory

We are interested in investigating and predicting physical properties of condensed matter using computers based on quantum mechanics. We are also interested in developing new theoretical and computational methods for better understanding the nature of condensed matter and quantum materials. Currently, the main approaches adopted for our research are based on the first-principles calculations within density functional theory and tight-binding models. Density functional theory (DFT) and the extended time-dependent density functional theory (TDDFT) provide a shortcut to access the many-body properties of a system and are widely used in the electronic-structure calculations.

我們的研究方向為從量子力學出發使用電腦來了解與預測凝聚態物質的物理特性(如材料的顏色、物質的能譜與固體中的光傳播、電導、熱傳導、磁性和彈性等相關之物理量)，我們也期望能發展出可了解凝態物質與量子材料的新理論架構與計算方法。目前我們所採用的研究方法為密度泛函理論架構下之第一原理計算與簡單的理論模型計算。其中密度泛函理論與其延伸出的時間相依之密度泛函理論提供了一個能夠研究多體系統能階與電荷密度之捷徑，且已是目前研究新穎材料之電子結構所依據的主要理論之一。