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Many-body Green's functions encode all the properties and excitations of interacting electrons. While these are challenging to be evaluated accurately on a classical computer, recent efforts have been directed towards finding quantum…
A model is proposed to study the hybrid exciton in a quantum dot-dendrimer systems. The semiconductor organic hybrid exciton is studied using a "real space" Green's function method and a diagrammatic technique. The energy of the hybrid…
This paper deals with the state estimation of non-linear and non-Gaussian systems with an emphasis on the numerical solution to the Bayesian recursive relations. In particular, this paper builds upon the Lagrangian grid-based filter (GbF)…
Solving complex optimization problems in engineering and the physical sciences requires repetitive computation of multi-dimensional function derivatives. Commonly, this requires computationally-demanding numerical differentiation such as…
Millisecond focal plane telemetry is now becoming practical due to a new generation of near-IR detector arrays with sub-electron noise that are capable of kHz readout rates. Combining these data with those simultaneously available from the…
Within the expansive domain of optical sciences, achieving the precise characterization of light beams stands as a fundamental pursuit, pivotal for various applications, including telecommunications and imaging technologies. This study…
This work describes a novel simulation approach that combines machine learning and device modelling simulations. The device simulations are based on the quantum mechanical non-equilibrium Greens function (NEGF) approach and the machine…
To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-dependent density functional theory (TDDFT) calculations of the…
In appropriate frameworks, automatic differentiation is transparent to the user at the cost of being a significant computational burden when the number of operations is large. For iterative algorithms, implicit differentiation alleviates…
The nonequilibrium description of quantum systems requires, for more than two or three particles, the use of a reduced description to be numerically tractable. Two possible approaches are based on either reduced density matrices or…
Green's function provides an inherent connection between theoretical analysis and numerical methods for elliptic partial differential equations, and general absence of its closed-form expression necessitates surrogate modeling to guide the…
We study the orthogonal polynomials associated with the equilibrium measure, in logarithmic potential theory, living on the attractor of an Iterated Function System. We construct sequences of discrete measures, that converge weakly to the…
Gibbs sampling from continuous real-valued functions is a challenging problem of interest in machine learning. Here we leverage quantum Fourier transforms to build a quantum algorithm for this task when the function is periodic. We use the…
The renormalization group plays an essential role in many areas of physics, both conceptually and as a practical tool to determine the long-distance low-energy properties of many systems on the one hand and on the other hand search for…
Power grid operators typically solve large-scale, nonconvex optimal power flow (OPF) problems throughout the day to determine optimal setpoints for generators while adhering to physical constraints. Despite being at the heart of many OPF…
Feedback amplification is a key technique for synthesizing various important functionalities, especially in electronic circuits involving op-amps. This paper presents a quantum version of this methodology, where the general phase-preserving…
Generated Jacobian Equations have been introduced by Trudinger [Disc. cont. dyn. sys (2014), pp. 1663-1681] as a generalization of Monge-Amp{\`e}re equations arising in optimal transport. In this paper, we introduce and study a damped…
We derive semiclassical approximations for wavefunctions, Green's functions and expectation values for classically chaotic quantum systems. Our method consists of applying singular and regular perturbations to quantum Hamiltonians. The…
In recent past extensive device simulation work has already been done on TFETs. Various ways have been suggested to model TFETs. In our paper we look at one such particular way to model these devices. The Non equilibrium green's formalism…
This paper presents a compact, recursive, non-linear, filter, derived from the Gauss-Newton (GNF), which is an algorithm that is based on weighted least squares and the Newton method of local linearisation. The recursive form (RGNF), which…