This review focuses on molecular ensemble junctions in which the individual molecules of a
monolayer each span two electrodes. This geometry favors quantum mechanical tunneling …

Filamentous fungi play a key role in the terrestrial carbon cycle as they are the primary
decomposers of lignocellulose in soil organic matter (SOM). Fungi secrete a wide range of …

Electron transfer is at the heart of many fundamental physical, chemical, and biochemical
processes essential for life. The exact simulation of these reactions is often hindered by the …

Abstract We present DFT-FE 1.0, building on DFT-FE 0.6 Motamarri et al.(2020)[28], to
conduct fast and accurate large-scale density functional theory (DFT) calculations …

For nearly 50 years, the vision of using single molecules in circuits has been seen as
providing the ultimate miniaturization of electronic chips. An advanced example of such a …

Understanding solute segregation thermodynamics is the first step in investigating grain
boundary (GB) properties, such as strong yttrium (Y) effects on grain growth and texture …

Deoxyribonucleic acid (DNA) has been hypothesized to act as a molecular wire due to the
presence of an extended π-stack between base pairs, but the factors that are detrimental in …

The global spread of environmental biological pollutants, such as antibiotic-resistant
bacteria and their antibiotic resistance genes (ARGs), has emerged as a critical public …

Organic thin-film transistors, owing to their intrinsic signal transformation and amplification
abilities, have emerged as one of the promising biosensing platforms in health monitoring …

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