Related papers: Quantum corrected model for plasmonic nanoparticle…
Localized surface plasmons (LSPs) are collective oscillations of free electrons in metal nanoparticles that confine electromagnetic waves into subwavelength regions, making them an ideal platform for light-matter coupling. To design and…
We present a quasi-conforming embedded reproducing kernel particle method (QCE-RKPM) for modeling heterogeneous materials that makes use of techniques not available to mesh-based methods such as the finite element method (FEM) and avoids…
In Yang et al. [Nature 576, 248 (2019)], the authors introduced a general theoretical framework for nanoscale electromagnetism based on Feibelman parameters. Here quantum effects of the optically excited electrons at the interface between…
The work presents the extended theoretical model of the electrical conductance in non-magnetic and magnetic nano-size point contacts. The developed approach describes diffusive, quasi-ballistic, ballistic and quantum regimes of the…
Quantum error mitigation(QEM), an error suppression strategy without the need for additional ancilla qubits for noisy intermediate-scale quantum~(NISQ) devices, presents a promising avenue for realizing quantum speedups of quantum computing…
It is a promising extension of the quantum mechanical/molecular mechanical (QM/MM) approach to incorporate the solvent molecules surrounding the QM solute into the QM region to ensure the adequate description of the electronic polarization…
We investigate the frontier between classical and quantum plasmonics in highly doped semiconductor layers. The choice of a semiconductor platform instead of metals for our study permits an accurate description of the quantum nature of the…
Quantum hydrodynamic model (QHDM) has become a versatile and efficient tool for studying plasmonics at the nanoscopic length scale. Yet its application to noble metals has not been sufficiently justified, in particular for situations where…
Several applications of quantum machine learning (QML) rely on a quantum measurement followed by training algorithms using the measurement outcomes. However, recently developed QML models, such as variational quantum circuits (VQCs), can be…
A new Quantum Monte-Carlo (QMC) approach is proposed to investigate low-lying states of nuclei within the shell model. The formalism relies on a variational symmetry-restored wave-function to guide the underlying Brownian motion. Sign/phase…
In this work we introduce an effective approach to quantize the electromagnetic response of plasmonic metallic nanostructures. Their shape is arbitrary and they feature a realistic description of the frequency-dependent metal dielectric…
We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect…
We introduce and discuss a hybrid quantum-mechanics molecular-mechanics (QM-MM) approach for Car-Parrinello DFT simulations with pseudopotentials and planewaves basis, designed for the treatment of periodic systems. In this implementation…
Gap plasmonics deals with the properties of surface plasmons in the narrow region between two metallic nanoparticles forming the gap. For sub-nanometer gap distances electrons can tunnel between the nanoparticles leading to the emergence of…
We develop an approach for the treatment of one--dimensional bounded quantum--mechanical models by straightforward modification of a successful method for unbounded ones. We apply the new approach to a simple example and show that it…
Structure determination by chemical-shift-driven NMR crystallography relies on comparing chemical shieldings measured in solid-state NMR experiments with simulations. However, computational cost limits the accuracy of shielding predictions,…
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body correlations. The molecule is composed of classical nuclei and…
We develop and analyze a framework for consistent QM/MM (quantum/classic) hybrid models of crystalline defects, which admits general atomistic interactions including traditional off-the-shell interatomic potentials as well as state of art…
While doing electromagnetic analysis using FEM (Finite element method), if we can implement the underlying symmetric nature of the problem, there will be significant reduction in the computational cost. Symmetric nature of the problem can…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…