Transport of electrons in a single molecule junction is the simplest problem in the general
subject area of molecular electronics. In the past few years, this area has been extended to …

Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …

We review the fascinating research on charge transport through switchable molecules. In the
past decade, detailed investigations have been performed on a great variety of molecular …

We describe a first-principles method for calculating electronic structure, vibrational modes
and frequencies, electron-phonon couplings, and inelastic electron transport properties of …

Electron-vibration coupling is of critical importance for the development of molecular
electronics, spintronics, and quantum technologies, as it affects transport properties and spin …

Single-molecule optoelectronic devices promise a potential solution for miniaturization and
functionalization of silicon-based microelectronic circuits in the future. For decades of its fast …

Point contact spectroscopy on a H 2 O molecule bridging Pt electrodes reveals a clear
crossover between enhancement and reduction of the conductance due to electron-vibration …

We derive and employ a semiclassical Langevin equation obtained from path integrals to
describe the ionic dynamics of a molecular junction in the presence of electrical current. The …

We present calculations of the elastic and inelastic conductance through three different
hydrocarbon molecules connected to gold electrodes. Our method is based on a …

We study theoretically the length dependence of both conductance and thermopower in
metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold …