相关论文: Analytical Modeling of Metal Gate Granularity base…

Developing high-performance cathode materials for magnesium-ion batteries (MIBs) remains challenging because Mg$^{2+}$ ions move slowly, and conventional materials exhibit low voltage outputs. In this study, machine learning and…

We identify a new variational inference scheme for dynamical systems whose transition function is modelled by a Gaussian process. Inference in this setting has either employed computationally intensive MCMC methods, or relied on…

With the continued scaling of quantum processors, holistic benchmarks are essential for extensively evaluating device performance. Layer fidelity is a benchmark well-suited to assessing processor performance at scale. Key advantages of this…

An analysis of recent experimental data for high-performance In0.7Ga0.3As high electron mobility transistors (HEMTs) is presented. Using a fully quantum mechanical, ballistic model, we simulate In0.7Ga0.3As HEMTs with gate lengths of LG =…

Soft porous crystals present a challenge to molecular dynamics simulations with flexible size and shape of the simulation cell (i.e., in the NPT ensemble), since their framework responds very sensitively to small external stimuli. Hence,…

Stein Variational Gradient Descent (SVGD) is a popular variational inference algorithm which simulates an interacting particle system to approximately sample from a target distribution, with impressive empirical performance across various…

Grain boundary structural transitions can lead to significant changes in the properties and performance of materials. In multi-principal element alloys, understanding these transitions becomes complex due to phenomena such as local chemical…

We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their…

A new compact modeling approach is presented which describes the full current-voltage (I-V) characteristic of high-performance (aggressively scaled-down) tunneling field-effect-transistors (TFETs) based on homojunction direct-bandgap…

Nitrogen vacancy (NV) centers, optically-active atomic defects in diamond, have attracted tremendous interest for quantum sensing, network, and computing applications due to their excellent quantum coherence and remarkable versatility in a…

This study simulated negative-capacitance double gate FinFETs with channel lengths ranging from 25nm to 100nm using TCAD. The results show that negative capacitance significantly reduces subthreshold swing as well as drain induced barrier…

The standard field-theoretical procedure to study the effect of long wavelength fluctuations on a genuine second-order phase transition is applied to the Mode-Coupling-Theory (MCT) dynamical singularity at $T_c$ in the $\beta$ regime.…

Spatial multiscale methods have established themselves as useful tools for extending the length scales accessible by conventional statics (i.e., zero temperature molecular dynamics). Recently, extensions of these methods, such as the…

An in-depth analysis of valley physics in 2D materials like transition metal dichalcogenides requires the measurement of many material properties as a function of Fermi level position within the electronic band structure. This is normally…

Extensive studies on thin films indicated a generic cubic current-voltage $I-V$ dependence as a salient feature of charge transport by tunneling. A quick glance at $I-V$ data for molecular junctions suggests a qualitatively similar…

As the advances in quantum hardware bring us into the noisy intermediate-scale quantum (NISQ) era, one possible task we can perform without quantum error correction using NISQ machines is the variational quantum eigensolver (VQE) due to its…

Real-time time-dependent density functional theory (RT-TDDFT) is known to be hindered by the very small time step (attosecond or smaller) needed in the numerical simulation due to the fast oscillation of electron wavefunctions, which…

We present detailed simulations addressing recent electronic interference experiments, where a metallic gate is used to locally modify the Fermi wave-length of the charge carriers. Our numerical calculations are based on a solution of the…

There are different MV grid concepts with regard to mode of operation and protection system layout. The increasing installation of DG raises the question if the currently used concepts are still optimal for future power systems. We present…