Multi-Space Density Functional Theory (MS-DFT)

After a decade-plus effort, we established the multi-space excitation viewpoint for quantum transport, and based on the picture developed the multi-space constrained-search density functional theory (MS-DFT) for non-equilibrium open quantum systems. The multi-space excitation picture and the corresponding MS-DFT represent the alternatives to the standard Landauer viewpoint and the DFT-based non-equilibrium Green's function (NEGF) method, respectively. 

Selected Publications

● ​​​​​​"Multi-space excitation as an alternative to the Landauer picture for nonequilibrium quantum transport​"

Juho Lee, Han Seul Kim, and Yong-Hoon Kim

Advanced Science, Vol. 7, No. 16, Art. 2001038 (2020).

Media Coverage: ​KAIST Research Highlights of 2020 and ​KAIST ​News (in Korean)​ ​

● ​​​​​​"Quasi-Fermi level splitting in nanoscale junctions from ab initio​"

Juho Lee, Hyeonwoo Yeo, and Yong-Hoon Kim

Proceedings of National Academy of Science U.S.A., Vol. 117, No. 19, pp. 10142-10148 (2020).

Media Coverage: KAIST News (in Korean), ​KAIST ​News, and International Media