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The accurate, reliable and efficient numerical approximation of multi-physics processes in heterogeneous porous media with varying media coefficients that include fluid flow and structure interactions is of fundamental importance in energy,…
Mobile robots have become indispensable for exploring hostile environments, such as in space or disaster relief scenarios, but often remain limited to teleoperation by a human operator. This restricts the deployment scale and requires…
Within academia and industry, there has been a need for expansive simulation frameworks that include model-based simulation of sensors, mobile vehicles, and the environment around them. To this end, the modular, real-time, and open-source…
Many recently introduced enhanced sampling techniques are based on biasing coarse descriptors (collective variables) of a molecular system on the fly. Sometimes the calculation of such collective variables is expensive and becomes a…
In the cybersecurity research community, there is no one-size-fits-all solution for merging large numbers of heterogeneous resources and experimentation capabilities from disparate specialized testbeds into integrated experiments. The…
The formation of biomolecular materials via dynamical interfacial processes such as self-assembly and fusion, for diverse compositions and external conditions, can be efficiently probed using ensemble Molecular Dynamics. However, this…
In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…
The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of…
In Integrated Sensing and Communication (ISAC) networks, distributed devices can cooperate to produce radio images of the surrounding environment by exploiting phase-coherent signal processing. However, existing imaging methods are not…
CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric…
Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…
Simulating the transient effects occurring in superconducting accelerator magnet circuits requires including the mutual electro-thermo-dynamic interaction among the circuit elements, such as power converters, magnets, and protection…
We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different…
CORSIKA 8 represents a significant update in the simulation of particle showers, building on the well-established foundation of CORSIKA 7. It has been entirely rewritten as a modular and modern C++ framework, addressing the limitations of…
Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…
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…
Cosimulation methods allow combination of simulation tools of physical systems running in parallel to act as a single simulation environment for a big system. As data is passed across subsystem boundaries instead of solving the system as…
We present a novel, open-source social network simulation framework, MOSAIC, where generative language agents predict user behaviors such as liking, sharing, and flagging content. This simulation combines LLM agents with a directed social…
We present, in a unifying way, the main components of three asynchronous event-driven algorithms for simulating physical systems of interacting particles. The first example, hard-particle molecular dynamics, is well-known. We also present a…
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…