Molecular junctions, where single molecules are bound to metal or semiconductor
electrodes, represent a unique architecture to investigate molecules in a distinct …

The last half-century has witnessed the birth and development of a new multidisciplinary
field at the edge between materials science, nanoscience, engineering, and chemistry …

Abstract The driven Liouville von Neumann approach is a method to computationally
explore electron dynamics and transport in nanoscale systems. It does so by imposing open …

We extend the twin-space formulation of the hierarchical equations of motion approach in
combination with the matrix product state representation [R. Borrelli, J. Chem. Phys. 150 …

This work describes additive transport in DNA molecules due to a self-assembly of
complementary single-stranded deoxyribonucleic acid chains, ie DNA hybridization. Charge …

In this study, we investigated the behaviour of rhamnolipid and Greenzyme in brine solutions
relevant to hydrocarbon reservoir. Prior to this work, several studies only reported the …

The interaction between electronic and vibrational degrees of freedom is an important
mechanism in nonequilibrium charge transport through molecular nanojunctions. While …

Successful integration of proteins in solid-state electronics requires contacting them in a non-
invasive fashion, with a solid conducting surface for immobilization as one such contact. The …

Understanding current-induced bond rupture in single-molecule junctions is both of
fundamental interest and a prerequisite for the design of molecular junctions, which are …

Current-induced bond rupture is a fundamental process in nanoelectronic architectures,
such as molecular junctions, and scanning tunneling microscopy measurements of …