San-Huang Ke

Thermopower of molecular junctions: an ab initio study.

Stefano Curtarolo, Weitao Yang, Weitao Yang, 2009, Nano letters.

Near-perfect conduction through a ferrocene-based molecular wire

Chaiwat Engtrakul, Department of Physics, Department of Chemistry, 2005 .

All-electron GW methods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules

San-Huang Ke, S. Ke, 2010, 1012.1084.