Related papers: Abaqus2Matlab: A suitable tool for finite element …
Adaptive multilevel finite element methods are developed and analyzed for certain elliptic systems arising in geometric analysis and general relativity. This class of nonlinear elliptic systems of tensor equations on manifolds is first…
A program package for MATLAB is introduced that helps calculations in quantum information science and quantum optics. It has commands for the following operations: (i) Reordering the qudits of a quantum register, computing the reduced state…
Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…
Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our newcomputational toolbo x…
A new recalibration post-processing method is presented to improve the quality of the posterior approximation when using Approximate Bayesian Computation (ABC) algorithms. Recalibration may be used in conjunction with existing…
This paper proposes an effective computational tool for brittle crack propagation problems based on a combination of a higher-order phase-field model and a non-conforming mesh using a NURBS-based isogeometric approach. This combination, as…
Quantum computation has emerged as a powerful computational medium of our time, having demonstrated the remarkable efficiency in factoring a positive integer and searching databases faster than any currently known classical computing…
To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…
In the field of scientific computing, one often finds several alternative software packages (with open or closed source code) for solving a specific problem. These packages sometimes even use alternative methodological approaches, e.g.,…
We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive…
FiniteFlow is a public framework for defining and executing numerical algorithms over finite fields and reconstructing multivariate rational functions. The framework allows to build complex algorithms by combining basic building blocks into…
Creating scalable, reliable, and well-motivated benchmarks for quantum computers is challenging: straightforward approaches to benchmarking suffer from exponential scaling, are insensitive to important errors, or use poorly-motivated…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
Quantum algorithms for computational linear algebra promise up to exponential speedups for applications such as simulation and regression, making them prime candidates for hardware realization. But these algorithms execute in a model that…
This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…
Despite the recent advancements by deep learning methods such as AlphaFold2, \textit{in silico} protein structure prediction remains a challenging problem in biomedical research. With the rapid evolution of quantum computing, it is natural…
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…
DeepLab2 is a TensorFlow library for deep labeling, aiming to provide a state-of-the-art and easy-to-use TensorFlow codebase for general dense pixel prediction problems in computer vision. DeepLab2 includes all our recently developed…
Targeting simulations on parallel hardware architectures, this paper presents computational kernels for efficient computations in mortar finite element methods. Mortar methods enable a variationally consistent imposition of coupling…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…