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A numerical framework is developed to solve various types of PDEs on complicated domains, including steady and time-dependent, non-linear and non-local PDEs, with different boundary conditions that can also include non-linear and non-local…

Numerical Analysis · Mathematics 2022-07-13 Jonna C. Roden , Rory D. Mills-Williams , John W. Pearson , Benjamin D. Goddard

This paper presents a Python software package, Ph3pyWF, providing a more convenient platform to realize high-throughput analysis of lattice thermal conductivity for ceramic materials. The interface of Ph3pyWF is friendly for users with…

Materials Science · Physics 2023-02-24 Kerui Lai , Yuxuan Wang

The problem of solving partial differential equations (PDEs) on manifolds can be considered to be one of the most general problem formulations encountered in computational multi-physics. The required covariant forms of balance laws as well…

Numerical Analysis · Mathematics 2021-01-19 Robert L. Gates , Maximilian Bittens

The Finite Element Method (FEM) is widely used to solve discrete Partial Differential Equations (PDEs) in engineering and graphics applications. The popularity of FEM led to the development of a large family of variants, most of which…

Numerical Analysis · Computer Science 2022-03-10 Teseo Schneider , Yixin Hu , Xifeng Gao , Jeremie Dumas , Denis Zorin , Daniele Panozzo

ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has undergone substantial improvements since its initial release [J. Chem. Theory Comput., 2023, 19(1): 109-121]. This paper outlines the improved modularity…

In this paper, we discuss the second-order finite element method (FEM) and finite difference method (FDM) for numerically solving elliptic cross-interface problems characterized by vertical and horizontal straight lines, piecewise constant…

Numerical Analysis · Mathematics 2024-11-04 Qiwei Feng

Partial differential equations (PDEs) are used, with huge success, to model phenomena arising across all scientific and engineering disciplines. However, across an equally wide swath, there exist situations in which PDE models fail to…

Numerical Analysis · Mathematics 2020-12-16 Marta D'Elia , Qiang Du , Christian Glusa , Max Gunzburger , Xiaochuan Tian , Zhi Zhou

In the Python world, NumPy arrays are the standard representation for numerical data. Here, we show how these arrays enable efficient implementation of numerical computations in a high-level language. Overall, three techniques are applied…

Mathematical Software · Computer Science 2011-03-14 Stefan Van Der Walt , S. Chris Colbert , Gaël Varoquaux

Pattern matching is a powerful tool for symbolic computations. Applications include term rewriting systems, as well as the manipulation of symbolic expressions, abstract syntax trees, and XML and JSON data. It also allows for an intuitive…

Programming Languages · Computer Science 2017-10-09 Manuel Krebber , Henrik Barthels , Paolo Bientinesi

The context of this work is the design of a software, called MEMSALab, dedicated to the automatic derivation of multiscale models of arrays of micro- and nanosystems. In this domain a model is a partial differential equation. Multiscale…

Symbolic Computation · Computer Science 2015-03-17 Walid Belkhir , Alain Giorgetti , Michel Lenczner

Cell blebs are protrusions of the cell membrane and can be instrumental for cell migration. We derive a continuum model for the mechanical and geometrical aspects of the onset of blebbing in terms of a force balance. It is abstract and…

Numerical Analysis · Mathematics 2020-03-03 Björn Stinner , Andreas Dedner , Adam Nixon

Shapley Values (SV) are widely used in explainable AI, but their estimation and interpretation can be challenging, leading to inaccurate inferences and explanations. As a starting point, we remind an invariance principle for SV and derive…

Machine Learning · Statistics 2023-06-01 Salim I. Amoukou , Nicolas J-B. Brunel , Tangi Salaün

autoScale.py is a program that performs an automatic finite-size scaling analysis for given sets of simulated data. It implements a quite general scaling assumption and optimizes an initial set of scaling parameters that enforce a data…

Computational Physics · Physics 2009-10-29 O. Melchert

With the rise of software-as-a-service and microservice architectures, RESTful APIs are now ubiquitous in mobile and web applications. A service can have tens or hundreds of API methods, making it a challenge for programmers to find the…

Programming Languages · Computer Science 2022-04-06 Zheng Guo , David Cao , Davin Tjong , Jean Yang , Cole Schlesinger , Nadia Polikarpova

Despite its numerical challenges, finite element method is used to compute viscous fluid flow. A consensus on the cause of numerical problems has been reached; however, general algorithms---allowing a robust and accurate simulation for any…

Computational Engineering, Finance, and Science · Computer Science 2019-02-05 Bilen Emek Abali

This contribution examines the capabilities of the Python ecosystem to solve nonlinear energy minimization problems, with a particular focus on transitioning from traditional MATLAB methods to Python's advanced computational tools, such as…

Mathematical Software · Computer Science 2024-07-09 Michal Béreš , Jan Valdman

A multilevel correction scheme is proposed to solve defective and nodefective of nonsymmetric partial differential operators by the finite element method. The method includes multi correction steps in a sequence of finite element spaces. In…

Numerical Analysis · Mathematics 2016-09-27 Hehu Xie , Zhimin Zhang

The scaled boundary finite element method (SBFEM) is a semi-analytical computational scheme, which is based on the characteristics of the finite element method (FEM) and combines the advantages of the boundary element method (BEM). This…

Numerical Analysis · Mathematics 2024-10-22 Yang Yang , Zongliang Zhang , Yelin Feng

We present a new framework for expressing finite element methods on multiple intersecting meshes: multimesh finite element methods. The framework enables the use of separate meshes to discretize parts of a computational domain that are…

Numerical Analysis · Mathematics 2018-08-28 August Johansson , Benjamin Kehlet , Mats G. Larson , Anders Logg

Many numerical simulation tools have been developed and are on the market, but there is still a strong need for appropriate tools capable of simulating multi-field problems, especially in aeroacoustics. Therefore, openCFS provides an…

Computational Engineering, Finance, and Science · Computer Science 2026-01-12 Andreas Wurzinger , Patrick Heidegger , Stefan Schoder