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Viscoelastic rate-type fluid models constitute a fundamental framework for the mathematical description of complex materials exhibiting coupled elastic and viscous effects, with a wide range of applications in engineering, biomaterials, and…
Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and…
In this work we present, for the first time, a computational fluid dynamics tool for the simulation of the metered discharge in a pressurized metered dose inhaler. The model, based on open-source software, adopts the Volume-Of-Fluid method…
A thermodynamic analysis of weakly nonlocal non-relativistic fluids is presented under the assumption that an additional scalar field also contributes to the dynamics. The most general evolution of this field and the constitutive relations…
LongMemory.jl is a package for time series long memory modelling in Julia. The package provides functions to generate long memory, estimate model parameters, and forecast. Generating methods include fractional differencing, stochastic error…
Machine learning as a discipline has seen an incredible surge of interest in recent years due in large part to a perfect storm of new theory, superior tooling, renewed interest in its capabilities. We present in this paper a framework named…
Neutral particles in the plasma edge of fusion devices based on magnetic confinement are described by a transient kinetic equation incorporating ionization, recombination, and charge-exchange collisions. In charge-exchange dominated…
The evergrowing computational complexity of High Performance Computing applications is often met with an horizontal scalling of computing systems. Colaterally, each added node risks being a single point of failure to parallel programs,…
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…
Bridging cultures that have often been distant, Julia combines expertise from the diverse fields of computer science and computational science to create a new approach to numerical computing. Julia is designed to be easy and fast. Julia…
This paper addresses the dire need for a platform that efficiently provides a framework for running reinforcement learning (RL) experiments. We propose the CaiRL Environment Toolkit as an efficient, compatible, and more sustainable…
Quantum parameter estimation promises a high-precision measurement in theory, however, how to design the optimal scheme in a specific scenario, especially under a practical condition, is still a serious problem that needs to be solved case…
Recent advancements in parallel simulation and successful robotic applications are spurring a resurgence in sampling-based model predictive control. To build on this progress, however, the robotics community needs common tooling for…
Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…
Pulgon-tools is an open-source software package providing building blocks for the analysis and modeling of quasi-one-dimensional (quasi-1D) periodic systems based on line-group theory. While mature libraries exist for space-group detection…
We propose the first multi agent framework for computational fluid dynamics that enables fully automated, end to end simulations directly from natural language queries. The approach integrates four specialized agents Pre processing, Prompt…
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the…
OpenCAEPoro is a parallel numerical simulation software developed in C++ for simulating multiphase and multicomponent flows in porous media. The software utilizes a set of general-purpose compositional model equations, enabling it to handle…
We introduce Lyceum, a high-performance computational ecosystem for robot learning. Lyceum is built on top of the Julia programming language and the MuJoCo physics simulator, combining the ease-of-use of a high-level programming language…
MultiPrecisionArrays.jl is a Julia package. This package provides data structures and solvers for several variants of iterative refinement. It will become much more useful when half precision (aka Float16) is fully supported in LAPACK/BLAS.…