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Optimization of the intermetallic layer thickness and the suppression of interfacial defects are key elements to improve the load bearing capacity of dissimilar joints. However, till date we do not have a systematic tool to investigate the…
We demonstrate that for a broad class of physical systems that can be described using classical field theory, automated runtime translation of the physical equations to parallelized finite-element numerical simulation code is feasible. This…
FEMPAR is an open source object oriented Fortran200X scientific software library for the high-performance scalable simulation of complex multiphysics problems governed by partial differential equations at large scales, by exploiting…
This work is a user guide to the FEMPAR scientific software library. FEMPAR is an open-source object-oriented framework for the simulation of partial differential equations (PDEs) using finite element methods on distributed-memory…
Modeling of physical systems includes extensive use of software packages that implement the accurate finite element method for solving differential equations considered along with the appropriate initial and boundary conditions. When the…
In the last decade, quantum simulators, and in particular cold atoms in optical lattices, have emerged as a valuable tool to study strongly correlated quantum matter. These experiments are now reaching regimes that are numerically difficult…
Quantum simulation holds the promise of improving the atomic simulations used at EDF to anticipate the ageing of materials of interest. One simulator in particular seems well suited to modeling interacting electrons: the Rydberg atoms…
The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…
ArQTiC is an open-source, full-stack software package built for the simulations of materials on quantum computers. It currently can simulate materials that can be modeled by any Hamiltonian derived from a generic, one-dimensional,…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
Magnetic gels are soft elastic materials consisting of magnetic particles embedded in a polymer network. Their shape and elasticity can be controlled by an external magnetic field, which gives rise to both, engineering and biomedical…
Miniaturization is an essential element in the development of information processing technologies and is also one of the main determinants of the usability of the tested artificial neural networks. It is also a key element and one of the…
Low-temperature plasmas are essential to both fundamental scientific research and critical industrial applications. As in many areas of science, numerical simulations have become a vital tool for uncovering new physical phenomena and…
One of the major issues in the computational mechanics is to take into account the geometrical complexity. To overcome this difficulty and to avoid the expensive mesh generation, geometrically unfitted methods, i.e. the numerical methods…
In this paper, we present a new static and time-dependent MagnetoHydroDynamic (MHD) equilibrium code, TokaMaker, for axisymmetric configurations of magnetized plasmas, based on the well-known Grad-Shafranov equation. This code utilizes…
Simulation is a foundational tool for the analysis and testing of cyber-physical systems (CPS), underpinning activities such as algorithm development, runtime monitoring, and system verification. As CPS grow in complexity and scale,…
In this work, we present a numerical method that remedies the instabilities of the conventional FDTD approach for solving Maxwell's equations in a space-time dependent magneto-electric medium with direct application to the simulation of the…
This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…
CMInject simulates nanoparticle injection experiments of particles with diameters in the micrometer to nanometer-regime, e.g., for single-particle-imaging experiments. Particle-particle interactions and particle-induced changes in the…