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The ability to engineer optimized protein variants has transformative potential for biotechnology and medicine. Prior sequence-based optimization methods struggle with the high-dimensional complexities due to the epistasis effect and the…
Quantization in the inversion layer and phase coherent transport are anticipated to have significant impact on device performance in 'ballistic' nanoscale transistors. While the role of some quantum effects have been analyzed qualitatively…
Hamiltonian inverse engineering enables the design of protocols for specific quantum evolutions or target state preparation. Perfect state transfer (PST) and remote entanglement generation are notable examples, as they serve as key…
We investigate microscopically the tunneling dynamics in spontaneous fission of atomic nuclei. To this end, we employ a schematic solvable model with a pairing-plus-quadrupole interaction. The spontaneous decay of a system is simulated by…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…
The band inversion transition in a cylindrical HgTe nanowire is inducible via varying the nanowire radius. Here we derive the low-energy effective Hamiltonian describing the band structure of the HgTe nanowire close to the fundamental band…
Hybrid beamforming (HB) has been widely studied for reducing the number of costly radio frequency (RF) chains in massive multiple-input multiple-output (MIMO) systems. However, previous works on HB are limited to a single user equipment…
Extracting Hamiltonian parameters from available experimental data is a challenge in quantum materials. In particular, real-space spectroscopy methods such as scanning tunneling spectroscopy allow probing electronic states with atomic…
We analyze the performance of a recently reported Ge/Si core/shell nanowire transistor using a semiclassical, ballistic transport model and an sp3s*d5 tight-binding treatment of the electronic structure. Comparison of the measured…
Optoelectronic micro- and nanostructures have a vast parameter space to explore for modification and optimisation of their functional performance. This paper reports on a data-led approach using high-throughput single nanostructure…
Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus…
We investigate a two-dimensional (2D) heterostructure consisting of few-layer direct bandgap ReS2, a thin h-BN layer and a monolayer graphene for application to various electronic devices. Metal-insulator-semiconductor (MIS)-type devices…
In this study, a SPICE model for negative capacitance vertical nanowire field-effect-transistor (NC VNW-FET) based on BSIM-CMG model and Landau-Khalatnikov (LK) equation was presented. Suffering from the limitation of short gate length…
In this work we derive an effective Hamiltonian for the surface states of a hollow topological insulator (TI) nanotube with finite width walls. Unlike a solid TI cylinder, a TI nanotube possesses both an inner as well as outer surface on…
Bandstructure effects in the electronic transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 10-band sp3d5s* semi-empirical atomistic tight-binding model coupled…
We present optimized tight-binding models with atomic orbitals to improve \textit{ab initio} tight-binding models constructed by truncating full density functional theory (DFT) Hamiltonian based on localized orbitals. Retaining qualitative…
In-plane heterojunction tunnel field effect transistors based on monolayer transition metal dichalcogenides are studied by means of self-consistent non-equilibrium Green's functions simulations and an atomistic tight-binding Hamiltonian. We…
Measuring carrier mobility as a function of the carrier density in semiconductors using Hall effect is the gold standard for quantifying scattering mechanisms. However, for nanostructures, the Hall effect is not applicable, and the density…
An idealized 1:2 scale demonstrator and a numerical parameter optimization algorithm are proposed to closely reproduce the deformation shape and, thus, spatial strain directions of a real aerodynamically loaded civil aircraft spoiler using…
This paper presents a structure-preserving model reduction approach applicable to large-scale, nonlinear port-Hamiltonian systems. Structure preservation in the reduction step ensures the retention of port-Hamiltonian structure which, in…