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We present a new release of the turboTDDFT code featuring an implementation of hybrid functionals, a recently introduced pseudo-Hermitian variant of the Liouville-Lanczos approach to time-dependent density-functional perturbation theory, and a newly develo ...
Substantial downscaling of the feature size in current CMOS technology has confronted digital designers with serious challenges including short channel effect and high amount of leakage power. To address these problems, emerging nano-devices, e.g., Silicon ...
We present QMMMW, a new program aimed at performing Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics. The package operates as a wrapper that patches PWscf code included in the QUANTUM ESPRESSO distribution and LAMMPS Molecular Dynamics Simu ...
High-density monolayers (HDMs) of single-strand (ss) DNA are important nanoscale platforms for the fabrication of sensors and for mechanistic studies of enzymes on surfaces. Such systems can be used, for example, to monitor gene expression, and for the con ...
The aim of this work was to demonstrate that various types of nanostructures provide different gains in terms of sensitivity or detection limit albeit providing the same gain in terms of increased area. Commercial screen printed electrodes (SPEs) were func ...
Organic photovoltaics will be one of the corner stones in solving the increasing world's energy demand issue. For this reason, a better understanding of the detailed mechanisms involved in energy conversion in the employed nanostructured materials is still ...
The ability to modulate intermolecular interactions in such a way as to impact nano-, micro- and even macroscale properties is an attractive aspect of self-assembling systems. We present an investigation of sequence-dependent rheological, photophysical and ...
The interfaces in complex oxides present unique properties exploitable in nanoscale devices. Recent studies on ferroelectric BiFeO3, BaTiO3, and Pb(Zr, Ti) O-3 have revealed an unusually high electric conductivity of the domain walls (DWs), adding another ...
Directed assembly of nano building blocks offers a versatile route to the creation of complex nanostructures with unique properties. Bottom-up directed assembly of nanoparticles have been considered as one of the best approaches to fabricate such functiona ...
The ability to rationally tune the morphology of nanostructures is a fundamental milestone in nanoscale engineering. In particular, the possibility to switch between different shapes within the same material system represents a further step in the developm ...