Related papers: Abaqus2Matlab: A suitable tool for finite element …
The full optimization of the design and operation of instruments whose functioning relies on the interaction of radiation with matter is a super-human task, given the large dimensionality of the space of possible choices for geometry,…
We describe QGLAB, a new MATLAB package for analyzing partial differential equations on quantum graphs. The software is built on the existing, object-oriented MATLAB directed-graph class, inheriting its structure and adding additional…
Particle accelerators are among the largest, most complex devices. To meet the challenges of increasing energy, intensity, accuracy, compactness, complexity and efficiency, increasingly sophisticated computational tools are required for…
In recent times, three-dimensional (3D) metamaterials have undergone a revolution driven mainly by the popularization of 3D-printing techniques, which has enabled the implementation of modern microwave and photonic devices with advanced…
In this work, a recently developed fracture modeling method called localizing gradient damage method (LGDM) is implemented in MATLAB. MATLAB is well-known in the computational research community for its simple and easy-to-learn coding…
The transition from optical identification of 2D quantum materials to practical device fabrication requires dynamic reasoning beyond the detection accuracy. While recent domain-specific Multimodal Large Language Models (MLLMs) successfully…
Isogeometric cohesive elements are presented for modeling two and three dimensional delaminated composite structures. We exploit the knot insertion algorithm offered by NURBS (Non Uniform Rational B-splines) to generate cohesive elements…
deal.II is a state-of-the-art finite element library focused on generality, dimension-independent programming, parallelism, and extensibility. Herein, we outline its primary design considerations and its sophisticated features such as…
When designing modern embedded computing systems, most software programmers choose to use multicore processors, possibly in combination with general-purpose graphics processing units (GPGPUs) and/or hardware accelerators. They also often…
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…
We introduce HexaLab: a WebGL application for real time visualization, exploration and assessment of hexahedral meshes. HexaLab can be used by simply opening www.hexalab.net. Our visualization tool targets both users and scholars.…
Nowadays integration of mass matrix components in the element domain is performed using various numerical integration schemes, each one possess different level of accuracy, alters in number of integration (Gauss) points and requires…
Aequitas Flow is an open-source framework and toolkit for end-to-end Fair Machine Learning (ML) experimentation, and benchmarking in Python. This package fills integration gaps that exist in other fair ML packages. In addition to the…
We have developed a graphical user interface (GUI) based package $\mu$2mech to perform phase-field simulation for predicting microstructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase…
We present a first-principles computer code package (ABACUS) that is based on density functional theory and numerical atomic basis sets. Theoretical foundations and numerical techniques used in the code are described, with focus on the…
Fitting models to measured data is one of the standard tasks in the natural sciences, typically addressed early on in physics education in the context of laboratory courses, in which statistical methods play a central role in analysing and…
A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. This design enables the same code to be…
We present exa-AMD, an open-source, high-performance framework designed for accelerated materials discovery on modern supercomputers. exa-AMD overcomes key computational bottlenecks in large-scale structure prediction through task-based…
In this paper, a novel pre- and post-processing algorithm is presented that can double the convergence rate of finite element approximations for linear wave problems. In particular, it is shown that a $q$-step pre- and post-processing…
We present the VASPKIT, a command-line program that aims at providing a powerful and user-friendly interface to perform high-throughput analysis of a variety of material properties from the raw data produced by the VASP code. It consists of…