Related papers: Multiscale Universal Interface: A Concurrent Frame…
We present an open-source Matlab framework, titled iFluid, for simulating the dynamics of integrable models using the theory of generalized hydrodynamics (GHD). The framework provides an intuitive interface, enabling users to define and…
Training GUI agents with traditional centralized methods faces significant cost and scalability challenges. Federated learning (FL) offers a promising solution, yet its potential is hindered by the lack of benchmarks that capture…
The rapid growth of deep learning has driven exponential increases in model parameters and computational demands. NVIDIA GPUs and their CUDA-based software ecosystem provide robust support for parallel computing, significantly alleviating…
This paper introduces PolyDiM, an open-source C++ library tailored for the development and implementation of polytopal discretization methods for partial differential equations. The library provides robust and modular tools to support…
Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…
Embedding models are a cornerstone of modern AI. Driven by Multimodal Large Language Models (MLLMs), they have made great progress in architecture and data curation, while the holistic paradigm is still limited to SSC, i.e., single input,…
The present paper deals with the problem of improving the efficiency of large scale turbulent flow simulations. The high-fidelity methods for modelling turbulent flows become available for a wider range of applications thanks to the…
The Model Context Protocol (MCP) is a recently proposed interoperability standard that unifies how AI agents connect with external tools and data sources. By defining a set of common client-server message exchange clauses, MCP replaces…
Data pre-processing is a fundamental component in any data-driven application. With the increasing complexity of data processing operations and volume of data, Cylon, a distributed dataframe system, is developed to facilitate data…
We present a comparison of several modern C++ libraries providing high-level interfaces for programming multi- and many-core architectures on top of CUDA or OpenCL. The comparison focuses on the solution of ordinary differential equations…
Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…
We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…
OpenSBLI is an open-source code-generation system for compressible fluid dynamics (CFD) on heterogeneous computing architectures. Written in Python, OpenSBLI is an explicit high-order finite-difference solver on structured curvilinear…
We present a multiparticle collision dynamics (MPC) implementation of layered immiscible fluids $A$ and $B$ of different shear viscosities separated by planar interfaces. The simulated flow profile for imposed steady shear motion and the…
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…
We discuss in detail a recently proposed hybrid particle-continuum scheme for complex fluids and evaluate it at the example of a confined homopolymer solution in slit geometry. The hybrid scheme treats polymer chains near the impenetrable…
Aqueous solid-liquid interfaces (SLI) are ubiquitous in nature and technology, often hosting molecular-level processes with macroscopic consequences. Molecular dynamics (MD) simulations offer a tool of choice to investigate interfacial…
High-accuracy, high-efficiency physics-based fluid-solid interaction is essential for reality modeling and computer animation in online games or real-time Virtual Reality (VR) systems. However, the large-scale simulation of incompressible…
High-level I/O libraries, such as HDF5 and PnetCDF, are commonly used by large-scale scientific applications to perform I/O tasks in parallel. These I/O libraries store the metadata such as data types and dimensionality along with the raw…
We present a "multipatch" infrastructure for numerical simulation of fluid problems in which sub-regions require different gridscales, different grid geometries, different physical equations, or different reference frames. Its key element…