Photovoltaic generation has stepped up within the last decade from outsider status to one of
the important contributors of the ongoing energy transition, with about 1.7% of world …

W annier90 is an open-source computer program for calculating maximally-localised
Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used …

CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …

A new benchmarking of beyond-CMOS exploratory devices for logic integrated circuits is
presented. It includes new devices with ferroelectric, straintronic, and orbitronic …

Starting with the simplest semiclassical approaches and ending with the description of
complex fully quantum-mechanical methods for quantum transport analysis of state-of-the …

The ubiquity of accelerators in high-performance computing has driven programming
complexity beyond the skill-set of the average domain scientist. To maintain performance …

The performance of tunnel field-effect transistors (TFETs) based on 2-D transition metal
dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations …

This article reviews the application of the non-equilibrium Green's function formalism to the
simulation of novel photovoltaic devices utilizing quantum confinement effects in low …

The promise for next generation light‐emitting device (LED) technologies is a major driver
for research on nanocrystal quantum dots (QDs). The low efficiencies of current QD‐LEDs …

The development of a new nanoelectronics modeling tool, NEMO5, is reported. The tool
computes strain, phonon spectra, electronic band structure, charge density, charge current …