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An emerging device architecture for infrared imaging is the curved focal-plane array which benefits from several optical advantages over the traditional flat design. However, the curving process introduces additional strain in the active…
Simulation-based optimization using agent-based models is typically carried out under the assumption that the gradient describing the sensitivity of the simulation output to the input cannot be evaluated directly. To still apply…
Fidelity estimation is a critical yet resource-intensive step in testing quantum programs on noisy intermediate-scale quantum (NISQ) devices, where the required number of measurements is difficult to predefine due to hardware noise, device…
The escalating complexity of urban transportation systems, exacerbated by factors such as traffic congestion, diverse transportation modalities, and shifting commuter preferences, necessitates the development of more sophisticated…
Quantum-mechanics-based transport simulation is of importance for the design of ultra-short channel field-effect transistors (FETs) with its capability of understanding the physical mechanism, while facing the primary challenge of the high…
Bilevel optimization is a fundamental tool in hierarchical decision-making and has been widely applied to machine learning tasks such as hyperparameter tuning, meta-learning, and continual learning. While significant progress has been made…
The NURBS-enhanced finite element method (NEFEM) combined with a hybridisable discontinuous Galerkin (HDG) approach is presented for the first time. The proposed technique completely eliminates the uncertainty induced by a polynomial…
Development of experimental techniques at nanoscale resulted in ability to perform spectroscopic measurements on single-molecule current carrying junctions. These experiments are natural meeting point for research fields of optical…
We consider the Quantum Natural Gradient Descent (QNGD) scheme which was recently proposed to train variational quantum algorithms. QNGD is Steepest Gradient Descent (SGD) operating on the complex projective space equipped with the…
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport [Kershaw and Kosov, J.Chem. Phys. 2017, 147, 224109 and J. Chem. Phys. 2018, 149, 044121] is extended to the case of interacting electrons. We consider a…
For treating correlated electronic systems on quantum computers, we propose a quantum-classical hybrid scheme for dynamical mean-field theory (DMFT). In the quantum part of the scheme, we use modified quantum phase estimation (QPE) circuits…
Building on the many existing algorithms for calculating the DC transport properties of quantum tight-binding models, we develop a systematic approach that expresses finite frequency observables in terms of the stationary Green's function…
We explore electron transport through a quantum dot coupled to the source and drain charge reservoirs We trace the transition from the Coulomb blockade regime to Kondo regime in the electron transport through the dot occuring when we…
We present "torchGDM", a numerical framework for nano-optical simulations based on the Green's Dyadic Method (GDM). This toolkit combines a hybrid approach, allowing for both fully discretized nano-structures and structures approximated by…
Anomaly detection tools and methods present a key capability in modern cyberphysical and failure prediction systems. Despite the fast-paced development in deep learning architectures for anomaly detection, model optimization for a given…
We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…
Quantum federated learning (QFL) is a quantum extension of the classical federated learning model across multiple local quantum devices. An efficient optimization algorithm is always expected to minimize the communication overhead among…
Characterizing the nature of hydrodynamical transport properties in quantum dynamics provides valuable insights into the fundamental understanding of exotic non-equilibrium phases of matter. Experimentally simulating infinite-temperature…
We derive an improved version of the recursive Green's function formalism (RGF), which is a standard tool in the quantum transport theory. We consider the case of disordered quasi one-dimensional materials where the disorder is applied in…
Quantum dots are versatile systems for exploring quantum transport, electron correlations, and many-body phenomena such as the Kondo effect. While equilibrium properties are well understood through methods like the numerical renormalization…