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The use of high-frequency bands, combined with antenna arrays containing an extremely large number of elements (XL-MIMO), is pushing current technology to its limits in terms of hardware complexity, latency, and power consumption. A…
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…
Engineering high-order nonlinearities while suppressing lower-order terms is crucial for quantum error correction and state control in bosonic systems, yet it remains an outstanding challenge. Here, we introduce a general framework of…
We present numerical experiments for geophysics electromagnetic (EM) modeling based upon high-order edge elements and supervised $h+p$ refinement approaches on massively parallel computers. Our high-order $h+p$ refinement strategy is based…
Molecular electronics and other technologies whose components comprise individual molecules have been pursued for half a century because the molecular scale represents the limit of miniaturisation of objects whose structure is tuneable for…
Researchers have long touted a vision of the future enabled by a proliferation of internet-of-things devices, including smart sensors, homes, and cities. Increasingly, embedding intelligence in such devices involves the use of deep neural…
In this paper, we present the numerical analysis and simulations of a multi-dimensional memristive device model. Memristive devices and memtransistors based on two-dimensional (2D) materials have demonstrated promising potential for…
Freestanding oxide films offer significant potential for integrating exotic quantum functionalities with semiconductor technologies. However, their performance is critically limited by surface roughness and interfacial imperfection caused…
In this work, we present a numerical model specifically designed for 3D multilayer devices, with a focus on nanobridge junctions and coplanar waveguides. Unlike existing numerical models, ours does not approximate the physical layout or…
We describe and evaluate a numerical solution strategy for simulating surface acoustic waves through semiconductor devices with complex geometries. This multi-physics problem is of particular relevance to the design of quantum electronic…
Extraordinary physical properties arise at polar interfaces in oxide materials, including the emergence of two-dimensional electron gases, sheet-superconductivity, and multiferroicity. A special type of polar interface are ferroelectric…
It is now well established that the homogenization of a periodic array of parallel dielectric fibers with suitably scaled high permittivity can lead to a (possibly) negative frequency-dependent effective permeability. However this result…
Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members,…
Semiconductor heterojunctions are foundational to many advanced electronic and optoelectronic devices. However, achieving high-quality, lattice-mismatched interfaces remains challenging, limiting both scalability and device performance.…
This manuscript explores a variational quantum formulation for nonlinear elasticity problems arising from hyperelastic material models, targeting near term noisy intermediate scale quantum (NISQ) devices. The approach leverages the…
From a structural point of view, plasmonic nanoparticles are always at least two-layer structures with a dielectric layer of stabilizing, targeting, fluorescent, Raman, or other functional molecules. To optimize the optical properties of…
We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical…
In this work, we report a massively parallel and time domain implementation of the 3D phase field model that can reach beyond micron scale and consider for arbitrary electrical and mechanical boundary conditions. The first part of the paper…
Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…
We investigate two-dimensional trilayered quantum systems with multi-orbital conduction bands by focusing on the role played by the layer degree of freedom in setting the character of nodal line semimetals. The layer index can label the…