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We present a detailed convergence analysis for an operator splitting scheme proposed in [C. Liu et al.,J. Comput. Phys., 436, 110253, 2021] for a reaction-diffusion system with detailed balance. The numerical scheme has been constructed…

Numerical Analysis · Mathematics 2021-05-21 Chun Liu , Cheng Wang , Yiwei Wang , Steven M. Wise

The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The cost of computing the polarizability operator generally scales…

Computational Physics · Physics 2020-02-21 Dong An , Lin Lin , Ze Xu

We present a numerical procedure of solving the subdiffusion equation with Caputo fractional time derivative. On the basis of few examples we show that the subdiffusion is a 'long time memory' process and the short memory principle should…

Other Condensed Matter · Physics 2007-05-23 Katarzyna D. Lewandowska , Tadeusz Kosztołowicz

This manuscript presents the Quantum Finite Element Method (Q-FEM) developed for use in noisy intermediate-scale quantum (NISQ) computers and employs the variational quantum linear solver (VQLS) algorithm. The proposed method leverages the…

Quantum Physics · Physics 2025-04-01 Abhishek Arora , Benjamin M. Ward , Caglar Oskay

Partial differential equations (PDEs) are central to modeling physical and engineering systems, but repeatedly solving parametric PDEs remains computationally expensive. Operator learning enables fast surrogate inference, yet typically…

Quantum Physics · Physics 2026-05-28 Chanyoung Kim , Myeonghwan Seong , Yujin Kim , Daniel K. Park , Youngjoon Hong

In the continuous time random walk model, the time-fractional operator usually expresses an infinite waiting time probability density. Different from that usual setting, this work considers the tempered time-fractional operator, which…

Numerical Analysis · Mathematics 2021-12-16 Libo Feng , Fawang Liu , Vo V. Anh , Shanlin Qin

In recent years, half precision floating-point arithmetic has gained wide support in hardware and software stack thanks to the advance of artificial intelligence and machine learning applications. Operating at half precision can…

Numerical Analysis · Mathematics 2024-09-19 Longfei Gao , Kevin Harms

This study presents the formulation, the numerical solution, and the validation of a theoretical framework based on the concept of variable-order mechanics and capable of modeling dynamic fracture in brittle and quasi-brittle solids. More…

Materials Science · Physics 2020-08-26 Sansit Patnaik , Fabio Semperlotti

We introduce in this work an efficient numerical method for the simulation of the quantum Liouville-BGK equation, which models the diffusive transport of quantum particles. The corner stone to the model is the BGK collision operator,…

Numerical Analysis · Mathematics 2021-03-12 Sophia Potoczak Bragdon , Olivier Pinaud

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…

Materials Science · Physics 2016-07-20 Diego Hunt , Veronica M. Sanchez , Damian A. Scherlis

A second-order accurate in time, positivity-preserving, and unconditionally energy stable operator splitting numerical scheme is proposed and analyzed for the system of reaction-diffusion equations with detailed balance. The scheme is…

Numerical Analysis · Mathematics 2021-09-08 Chun Liu , Cheng Wang , Yiwei Wang

We propose a computationally efficient method to solve the dynamics of operators of bosonic quantum systems coupled to their environments. The method maps the operator under interest to a set of complex-valued functions, and its adjoint…

We propose a kernel compression method for solving Distributed-Order (DO) Fractional Partial Differential Equations (DOFPDEs) at the cost of solving corresponding local-in-time PDEs. The key concepts are (1) discretization of the integral…

Numerical Analysis · Mathematics 2025-08-20 Jonas Beddrich , Barbara Wohlmuth

In recent years, there has been a large increase in interest in numerical algorithms which preserve various qualitative features of the original continuous problem. Herein, we propose and investigate a numerical algorithm which preserves…

Numerical Analysis · Mathematics 2021-09-14 Joshua Lee Padgett , Eduardo Servin

Split computing has emerged as a recent paradigm for implementation of DNN-based AI workloads, wherein a DNN model is split into two parts, one of which is executed on a mobile/client device and the other on an edge-server (or cloud). Data…

Machine Learning · Computer Science 2022-08-25 Parual Datta , Nilesh Ahuja , V. Srinivasa Somayazulu , Omesh Tickoo

In this paper, we develop fast procedures for solving linear systems arising from discretization of ordinary and partial differential equations with Caputo fractional derivative w.r.t time variable. First, we consider a finite difference…

Analysis of PDEs · Mathematics 2018-02-01 Zhengguang Liu , Aijie Cheng , Xiaoli Li , Hong Wang

In this paper, we develop a robust fast method for mobile-immobile variable-order (VO) time-fractional diffusion equations (tFDEs), superiorly handling the cases of small or vanishing lower bound of the VO function. The valid fast…

Numerical Analysis · Mathematics 2022-06-22 Jia-Li Zhang , Zhi-Wei Fang , Hai-Wei Sun

Gaussian curvature is an important geometric property of surfaces, which has been used broadly in mathematical modeling. Due to the full nonlinearity of the Gaussian curvature, efficient numerical methods for models based on it are uncommon…

Computer Vision and Pattern Recognition · Computer Science 2022-05-17 Hao Liu , Xue-Cheng Tai , Roland Glowinski

For solving structured monotone inclusion problems involving the sum of finitely many maximal monotone operators, we propose and study a relative-error inertial-relaxed inexact projective splitting algorithm. The proposed algorithm benefits…

Optimization and Control · Mathematics 2023-01-25 M. Marques Alves , Marina Geremia , Raul T. Marcavillaca

We introduce an efficient and accurate staggered-grid finite-difference (SGFD) method to solve the two-dimensional elastic wave equation. We use a coupled first-order stress-velocity formulation. In the standard implementation of SGFD…

Numerical Analysis · Mathematics 2020-12-15 Wenquan Liang , Yanfei Wang , Ursula Iturrarán-Viveros
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