Related papers: Generalized Method for Charge Transfer Equilibrati…
We propose and investigate a queueing model of a battery swapping and charging station (BSCS) for electric vehicles (EVs). A new approach to the analysis of the queueing model is developed, which combines the representation of the model as…
The Dicke model is a fundamental model in quantum optics, which describes the interaction between quantum cavity field and a large ensemble of two-level atoms. In this work, we propose an efficient charging quantum battery achieved by…
A significant drawback of Lagrangian (particle-tracking) reactive transport models has been their inability to properly simulate interactions between solid and liquid chemical phases, such as dissolution and precipitation reactions. This…
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…
Quasi-Monte Carlo (QMC) integration of output functionals of solutions of the diffusion problem with a log-normal random coefficient is considered. The random coefficient is assumed to be given by an exponential of a Gaussian random field…
The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…
We investigate the charging process of quantum battery (QB) systems in an extended Dicke model with both atomic interactions and an external driving field. We focus on the effects of the atomic interaction and the external driving field on…
The response of electromagnetic (EM) fields that are produced in non-central heavy-ion collisions to electromagnetically charged quark gluon plasma can be understood in terms of charge transport and charge diffusion in the hot QCD medium.…
Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing…
Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…
This article is the second of a three-part series that derives a self-consistent theoretical framework of the electromechanics of arbitrarily curved lipid membranes. Existing continuum theories commonly treat lipid membranes as strictly…
Beyond the dielectric continuum description initiated by Marcus theory, the nowadays standard theoretical approach to study electron transfer (ET) reactions in solution or at interfaces is to use classical force field or ab initio Molecular…
Surface charge controls many static and dynamic properties of soft matter and micro/nanofluidic systems, but its unambiguous measurement forms a challenge. Standard characterization methods typically probe an effective surface charge, which…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture.…
At room temperature, the quantum contribution to the kinetic energy of a water molecule exceeds the classical contribution by an order of magnitude. The quantum kinetic energy (QKE) of a water molecule is modulated by its local chemical…
Bistable systems present two degenerate metastable configurations separated by an energy barrier. Thermal or quantum fluctuations can promote the transition between the configurations at a rate which depends on the dynamical properties of…
Quantum impurity models (QIMs) are ubiquitous throughout physics. As simplified toy models they provide crucial insights for understanding more complicated strongly correlated systems, while in their own right are accurate descriptions of…
Exploiting many-body interaction and critical phenomena to improve the performance of quantum batteries is an emerging and promising line of research. A central question in this direction is whether quantum phase transitions can enhance the…
We study within the perturbative many-body $GW$ and Bethe-Salpeter approach the low lying singlet charge-transfer excitations in molecular donor-acceptor complexes associating benzene, naphtalene and anthracene derivatives with the…