Disruptive technologies will soon change the nature of silicon-chip fabrication. INTEL has announced that only one more chip generation will be built using silicon, ending the 50-year-old market dominance of this technology. Critical also are not just the change in material but also the change in size, with component parts continually shrinking to smaller dimensions - 14 nm in current fabrications, but the size will be halved soon, then halved again to molecular dimensions.

The basic building block for molecular electronics is a single-molecule junction: a molecule chemically linked to two metal electrodes.  These molecular scale devices hold substantial promises in fields from informational technology to environmental management, from medicine to energy transducers. There is a huge challenge involved in understanding how single molecules and molecular assemblies conduct electricity quantum mechanically. This understanding of fundamental mechanisms is pivotal for the science of molecular electronics to be transformed into a technology.

We develop new conceptual theoretical methods for quantum transport in nanoscale as well as large-scale computer programs for simulations of nanoelectronic devices. Much of our research is done in close collaboration with experimentalist.