相关论文: Split representation of adaptively compressed pola…
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…
In this paper, we propose an adaptive forward-backward-forward splitting algorithm for finding a zero of a pseudo-monotone operator which is split as a sum of three operators: the first is continuous single-valued, the second is…
Orthogonal moment-based image representations are fundamental in computer vision, but classical methods suffer from high computational complexity and numerical instability at large orders. Zernike and pseudo-Zernike moments, for instance,…
This paper proposes and analyzes a new operator splitting method for stochastic Maxwell equations driven by additive noise, which not only decomposes the original multi-dimensional system into some local one-dimensional subsystems, but also…
This paper addresses the challenges of embedding common droop control characteristics in ac-dc power system steady-state simulation and optimization problems. We propose a smooth approximation methodology to construct differentiable…
An efficient computational algorithm to implement a local operator approach to partitioning electronic energy in general molecular systems is presented. This approach, which rigorously defines the electronic energy on any subsystem within a…
In this paper, an efficient parallel splitting method is proposed for the optimal control problem with parabolic equation constraints. The linear finite element is used to approximate the state variable and the control variable in spatial…
Efficiently solving large-scale optimal power flow (OPF) problems is challenging due to the high dimensionality and interconnectivity of modern power systems. Decomposition methods offer a promising solution via partitioning large problems…
Computer models are used as replacements for physical experiments in a large variety of applications. Nevertheless, direct use of the computer model for the ultimate scientific objective is often limited by the complexity and cost of the…
This paper proposes a variable metric splitting algorithm to solve the electrical behavior of neuromorphic circuits made of capacitors, memristive elements, and batteries. The gradient property of the memristive elements is exploited to…
The one-component plasma (OCP) represents the simplest statistical mechanical model of a Coulomb system. For this reason, it has been extensively studied over the last forty years. The advent of the integral equations has resulted in a…
A polar decomposition of mutual information between a complex-valued channel's input and output is proposed for a input whose amplitude and phase are independent of each other. The mutual information is symmetrically decomposed into three…
Within the framework of the Composite Operator Method, a three-pole solution for the two-dimensional Hubbard model is presented and analyzed in detail. In addition to the two Hubbard operators, the operatorial basis comprises a third…
We present an approach to construct efficient sparse summation-by-parts (SBP) operators on triangles and tetrahedra with a tensor-product structure. The operators are constructed by splitting the simplices into quadrilateral or hexahedral…
We propose new compressive parameter estimation algorithms that make use of polar interpolation to improve the estimator precision. Our work extends previous approaches involving polar interpolation for compressive parameter estimation in…
We show that the expected solution operator of prototypical linear elliptic partial differential operators with random coefficients is well approximated by a computable sparse matrix. This result is based on a random localized orthogonal…
We propose a new class of semi-implicit methods for solving nonlinear fractional differential equations and study their stability. Several versions of our new schemes are proved to be unconditionally stable by choosing suitable parameters.…
In our previous work, numerical schemes for a simplified version of 3-wave kinetic equations, in which only the simple forward-cascade terms of the collision operators are kept, have been successfully designed, especially to capture the…
Algorithmic Cooling (AC) of spins applies entropy manipulation algorithms in open spin-systems in order to cool spins far beyond Shannon's entropy bound. AC of nuclear spins was demonstrated experimentally, and may contribute to nuclear…
Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure to modify chemical properties. Here we…