Related papers: Multi-physics Extension of OpenFMO Framework
Deformable fractured porous media appear in many geoscience applications. While the extended finite element (XFEM) has been successfully developed within the computational mechanics community for accurate modeling of the deformation, its…
In order to understand the physics phenomea on the fundamental aspects, the software simulations are a good exercise to succed in this way. Some work of heat transport and molecular physics laboratory are studied in a comparative mode…
MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…
According to the modern paradigms of software engineering, standard tasks are best accomplished by reusable open source libraries. We describe OpenOrbitalOptimizer: a reusable open source C++ library for the iterative solution of coupled…
Most scientists need software to perform their research (Barker et al., 2020; Carver et al., 2022; Hettrick, 2014; Hettrick et al., 2014; Switters and Osimo, 2019), and neuroscientists are no exception. Whether we work with reaction times,…
Large, complex, multi-scale, multi-physics simulation codes, running on high performance com-puting (HPC) platforms, have become essential to advancing science and engineering. These codes simulate multi-scale, multi-physics phenomena with…
Sampling-based planning algorithms are the most common probabilistically complete algorithms and are widely used on many robot platforms. Within this class of algorithms, many variants have been proposed over the last 20 years, yet there is…
Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has…
Metal-organic frameworks (MOFs) are a specific class of hybrid, crystalline, nano-porous materials made of metal-ion-based nodes and organic linkers. Most of the studies on MOFs largely focused on porosity, chemical and structural…
Multiscale Finite Element Methods (MsFEMs) are now well-established finite element type approaches dedicated to multiscale problems. They first compute local, oscillatory, problem-dependent basis functions that generate a suitable…
Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…
We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified interface. Our framework is intrinsically parallel, and conveniently separates all component numerical modules in…
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…
Open Source Physics (Brown, 2012; Christian, 2010; Esquembre, 2012; Hwang, 2010) empowers teachers and students to create and use these free tools with the associated intellectual property rights given to customise (Wee & Mak, 2009) the…
We developed a general framework for hybrid quantum-classical computing of molecular and periodic embedding approaches based on an orbital space separation of the fragment and environment degrees of freedom. We demonstrate its potential by…
FFT-based solvers are increasingly used by many researcher groups interested in modelling the mechanical behavior associated to a heterogeneous microstructure. A development is reported here that concerns the viscoelastic behavior of…
Manifold optimization (MO) is a powerful mathematical framework that can be applied to optimize functions over complex geometric structures, which is particularly useful in advanced wireless communication systems, such as reconfigurable…
Detailed detector simulation and reconstruction of physics objects at the LHC are very CPU intensive and hence time consuming due to the high energy and multiplicity of the Monte-Carlo events and the complexity of the detectors. We present…
multisphere is an open-source Python package for generating multi-sphere representations of complex particles for use in DEM simulations. It reconstructs triangulated surface meshes and voxelized volumes as sets of intersecting spheres and…
It has been well documented that the use of exponentially-averaged momentum (EM) in particle swarm optimization (PSO) is advantageous over the vanilla PSO algorithm. In the single-objective setting, it leads to faster convergence and…