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We introduce a nonlinear stochastic model reduction technique for high-dimensional stochastic dynamical systems that have a low-dimensional invariant effective manifold with slow dynamics, and high-dimensional, large fast modes. Given only…
The non-destructive characterization of nanoscale devices, such as those based on semiconductor nanowires, in terms of functional potentials is crucial for correlating device properties with their morphological/materials features, as well…
Can the properties of the thermodynamic limit of a many-body quantum system be extrapolated by analysing a sequence of finite-size cases? We present a model for which such an approach gives completely misleading results: a translationally…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
In this paper, two novel hybrid beamforming methods are proposed to reduce the cost and power consumption of hybrid beamformers with subconnected phase shifter network structure in massive multiple-input multiple-output (MIMO) systems. This…
Though ubiquitous as first-principles models for conservative phenomena, Hamiltonian systems present numerous challenges for model reduction even in relatively simple, linear cases. Here, we present a method for the projection-based model…
We investigate the trade-offs between accuracy and efficiency for several flavors of the dissipative mode-space NEGF algorithm with the self-consistent Born approximation for DFT Hamiltonians. Using these models, we then demonstrate the…
There is a growing mechanics literature concerning the macroscopic properties of mechanism-based mechanical metamaterials. This amounts mathematically to a homogenization problem involving nonlinear elasticity. A key goal is to identify the…
Efficiently simulating large circuits is crucial to the development of superconducting nanowire-based electronics. However, current simulation tools for this technology are not adapted to the scaling of circuit size and complexity. We focus…
We develop an accurate nanoelectronic modeling approach for realistic three-dimensional topological insulator nanostructures and investigate their low-energy surface-state spectrum. Starting from the commonly considered four-band…
A graphene field effect transistor, where the active area is made of monolayer large-area graphene, is simulated including a full 2D Poisson equation and a drift-diffusion model with mobilities deduced by a direct numerical solution of the…
Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in deep-learning density functional theory (DFT) Hamiltonian…
Two-dimensional materials (2DMs) are a promising alternative to complement and upgrade high-frequency electronics. However, in order to boost their adoption, the availability of numerical tools and physically-based models able to support…
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} downfolding scheme. A global electronic structure is first…
In this work, the benefits of the phase fitting technique are embedded in high order discrete Lagrangian integrators. The proposed methodology creates integrators with zero phase lag in a test Lagrangian in a similar way used in phase…
Two-dimensional (2D) semiconductors offer a promising prospect for high-performance and energy-efficient devices especially in the sub-10 nm regime. Inspired by the successful fabrication of 2D $\beta$-TeO$_2$ and the high on/off ratio and…
Many applications, such as optimization, uncertainty quantification and inverse problems, require repeatedly performing simulations of large-dimensional physical systems for different choices of parameters. This can be prohibitively…
GaSb/InAs heterojunction tunnel field-effect transistors are strong candidates in building future low-power integrated circuits, as they could provide both steep subthreshold swing and large ON-state current ($I_{\rm{ON}}$). However, at…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
We show that lattice systems, such as the Bose-Hubbard model, can be simulated on a single nano- or micro-mechanical resonator, by exploiting its many modes. The on-site Hamiltonians are engineered by coupling the mechanical modes to the…