Related papers: UMAT4COMSOL: An Abaqus user material (UMAT) subrou…

This manuscript presents a practical method for incorporating trained Neural Networks (NNs) into the Finite Element (FE) framework using a user material (UMAT) subroutine. The work exemplifies crystal plasticity, a complex inelastic…

We present a simple and robust implementation of the phase field fracture method in Abaqus. Unlike previous works, only a user material (UMAT) subroutine is used. This is achieved by exploiting the analogy between the phase field balance…

Soft materials play an integral part in many aspects of modern life including autonomy, sustainability, and human health, and their accurate modeling is critical to understand their unique properties and functions. Today's finite element…

In this paper, we discuss the implementation of a cell based smoothed finite element method (CSFEM) within the commercial finite element software Abaqus. The salient feature of the CSFEM is that it does not require an explicit form of the…

Recent advancements in computations have enabled the application of various modeling approaches to predict fracture and failure, such as the gradient-damage (phasefield) method. Several existing studies have leveraged the heat equation…

A suitable piece of software is presented to connect Abaqus, a sophisticated finite element package, with Matlab, the most comprehensive program for mathematical analysis. This interface between these well-known codes not only benefits from…

It is desired to equip robots with the capability of interacting with various soft materials as they are ubiquitous in the real world. While physics simulations are one of the predominant methods for data collection and robot training,…

AMDAT (Amorphous Molecular Dynamics Analysis Toolkit) is an open-source C++ toolkit for post-processing molecular dynamics trajectories, focused on high-performance static and dynamic analyses of amorphous, glassy, and polymer materials,…

Many useful tasks in data science and machine learning applications can be written as simple variations of matrix multiplication. However, users have difficulty performing such tasks as existing matrix/vector libraries support only a…

Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing…

We present the architectural design and prototype implementation of QUT (Quantum Unit Testing), a framework for unit testing of quantum subroutines. The framework is developed with a focus on usability and simplicity, making the complex…

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and…

We introduce an open source software package UniversalQCompiler written in Mathematica that allows the decomposition of arbitrary quantum operations into a sequence of single-qubit rotations (with arbitrary rotation angles) and…

This library (collection of subroutines) is presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage,…

This paper presents results and convergence study of the Global--Local Iterative Coupling through the implementation in the commercial software Abaqus making use of the co-simulation engine. A hierarchical modeling and simulation approach…

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to…

Manipulating the propagation of electromagnetic waves through sub-wavelength sized artificial structures is the core function of metamaterials. Resonant structures, such as split ring resonators, play the role of artificial "atoms" and…

Epoxy is widely used primarily as a matrix material in the manufacture of polymer matrix composite. Epoxy behavior under compression load has to be understood before the mechanical behavior of polymer matrix composite can be accurately…

The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

This document describes a quantum assembly language (QASM) called OpenQASM that is used to implement experiments with low depth quantum circuits. OpenQASM represents universal physical circuits over the CNOT plus SU(2) basis with…