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Quantum simulators are engineered devices controllably designed to emulate complex and classically intractable quantum systems. A key challenge is to certify whether the simulator truly mimics the Hamiltonian of interest. This certification…
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…
We propose a new framework of Hessian-free force-gradient integrators that do not require the analytical expression of the force-gradient term based on the Hessian of the potential. Due to that the new class of decomposition algorithms for…
Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…
The problem of simulatability of quantum processes using classical resources plays a cornerstone role for quantum computing. Quantum circuits can be simulated classically, e.g., using Monte Carlo sampling techniques applied to…
Graphene field-effect transistors (GFETs) are experimental devices which are increasingly seeing commercial and research applications. Simulation and modelling forms an important stage in facilitating this transition, however the majority…
One significant advantage of superconducting processors is their extensive design flexibility, which encompasses various types of qubits and interactions. Given the large number of tunable parameters of a processor, the ability to perform…
In this article, an efficient transient electricalthermal co-simulation method based on the finite element method (FEM) and the discontinuous Galerkin time-domain (DGTD) method is developed for electrical-thermal coupling analysis of…
Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…
Stable, reproducible, scalable, addressable, and controllable hybrid superconductor-semiconductor (S-Sm) junctions and switches are key circuit elements and building blocks of gate-based quantum processors. The electrostatic field effect…
Neuromorphic devices, with their distinct advantages in energy efficiency and parallel processing, are pivotal in advancing artificial intelligence applications. Among these devices, memristive transistors have attracted significant…
In the noisy intermediate-scale quantum (NISQ) era, flexible quantum operations are essential for advancing large-scale quantum computing, as they enable shorter circuits that mitigate decoherence and reduce gate errors. However, the…
The modern power system is evolving with increasing penetration of power electronics introducing complicated electromagnetic phenomenon. Electromagnetic transient (EMT) simulation is essential to understand power system behavior under…
Tri-gate ferroelectric FETs with Hf0.5Zr0.5O2 gate insulator for memory and neuromorphic applications are fabricated and characterized for multi-level operation. The conductance and threshold voltage exhibit highly linear and symmetric…
Quantum circuit simulation is paramount to the verification and optimization of quantum algorithms, and considerable research efforts have been made towards efficient simulators. While circuits often contain high-level gates such as oracles…
The commercialization of transistors capable of both switching and amplification in 1960 resulted in the development of second-generation computers, which resulted in the miniaturization and lightening, while accelerating the reduction and…
We present an extension of the semi-grandcanonical (SGC) ensemble that we refer to as the variance-constrained semi-grandcanonical (VC-SGC) ensemble. It allows for transmutation Monte Carlo simulations of multicomponent systems in…
New nanotechnology based devices are replacing CMOS devices to overcome CMOS technology's scaling limitations. However, many such devices exhibit non-monotonic I-V characteristics and uncertain properties which lead to the negative…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to…