Related papers: Efficient and realistic device modeling from atomi…
It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…
Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time…
We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…
Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, quantum dots,…
Structurally and chemically complex materials such as amorphous metallosilicates underpin major catalytic and separation technologies, yet their intrinsic complexity challenges reliable atomistic modeling under realistic conditions.…
Neuromorphic computing is poised to further the success of software-based neural networks by utilizing improved customized hardware. However, the translation of neuromorphic algorithms to hardware specifications is a problem that has been…
We report a nanoscale device concept based on a highly doped $\delta$-layer tunnel junction embedded in a semiconductor for charge sensing. Recent advances in Atomic Precision Advanced Manufacturing (APAM) processes have enabled the…
Semiconductor nanowires provide an ideal platform for various low-dimensional quantum devices. In particular, topological phases of matter hosting non-Abelian quasi-particles can emerge when a semiconductor nanowire with strong spin-orbit…
Atomic scale nanowires attract enormous interest in a wide range of fields. On the one hand, due to their quasi-one-dimensional nature, they can act as a experimental testbed for exotic physics: Peierls instability, charge density waves,…
Neuromorphic hardware platforms can significantly lower the energy overhead of a machine learning inference task. We present a design-technology tradeoff analysis to implement such inference tasks on the processing elements (PEs) of a Non-…
Modern optical systems are subject to very restrictive performance, size and cost requirements. Especially in portable systems size often is the most important factor, which necessitates elaborate designs to achieve the desired…
The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
Recent fabrication of atomic precision nanodevices for spintronics greatly boosted their performance and also revealed new interesting features, as oscillating magnetoresistance with number of atomic layers in a multilayered structure. This…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
Modelling MEMS involves a variety of software tools that deal with the analysis of complex geometrical structures and the assessment of various interactions among different energy domains and components. Moreover, the MEMS market is growing…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We discuss some examples where numerical simulations based on effectively fabricated nanostructures can provide additional insights into an experiment. Focusing on plasmonics, we study Fano resonant systems for optical trapping, realistic…
Based on bottom-up assembly of highly variable neural cells units, the nervous system can reach unequalled level of performances with respect to standard materials and devices used in microelectronic. Reproducing these basic concepts in…
We describe a novel tool for the quantum characterization of optical devices. The experimental setup involves a stable reference state that undergoes an unknown quantum transformation and is then revealed by balanced homodyne detection.…