相关论文: Poster on MPI application in Computational Fluid D…

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

The progress made in accelerating simulations of fluid flow using GPUs, and the challenges that remain, are surveyed. The review first provides an introduction to GPU computing and programming, and discusses various considerations for…

Programmable biomolecule-mediated computing is a new computing paradigm as compared to contemporary electronic computing. It employs nucleic acids and analogous biomolecular structures as information-storing and -processing substrates to…

Nano-scale fluid transport has vast applications spanning from water desalination to biotechnology [1,2]. It is possible to pump fluids in nano-conduits using pressure gradients [3], thermal methods [4], electric [5,6] and magnetic fields…

Heterogeneous memory technologies are increasingly important instruments in addressing the memory wall in HPC systems. While most are deployed in single node setups, CXL.mem is a technology that implements memories that can be attached to…

In 1991, Moore [20] raised a question about whether hydrodynamics is capable of performing computations. Similarly, in 2016, Tao [25] asked whether a mechanical system, including a fluid flow, can simulate a universal Turing machine. In…

Machine learned interatomic potentials, particularly equivariant message-passing (MP) models, have demonstrated high fidelity in representing first-principles data, revolutionizing computational studies in materials science, biophysics, and…

Understanding the on-chip motion of magnetic particles in a microfluidic environment is key to realizing magnetic particle-based Lab-on-a-chip systems for medical diagnostics. In this work, a simulation model is established to quantify the…

Magnetic particle imaging (MPI) is an emerging imaging technique with many applications and a very active field of research. This app provides users with the opportunity to develop some intuition about the inner workings of MPI as it is…

These notes are based on some lectures that the author gave at the University of Campinas - UNICAMP. The notes are in Portuguese, and deal with some methods of mathematics applied to Fluid Mechanics.

The accurate representation of multidimensional potential energy surfaces is a necessary requirement for realistic computer simulations of molecular systems. The continued increase in computer power accompanied by advances in correlated…

The analysis and design of advection-diffusion based molecular communication (MC) systems in cylindrical environments is of particular interest for applications such as micro-fluidics and targeted drug delivery in blood vessels. Therefore,…

Partitioned communication was introduced in MPI 4.0 as a user-friendly interface to support pipelined communication patterns, particularly common in the context of MPI+threads. It provides the user with the ability to divide a global buffer…

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

The present paper describes a parallel unstructured-mesh Plasma simulation code based on Finite Volume method. The code dynamically refines and coarses mesh for accurate resolution of the different features regarding the electron density.…

Ongoing investigations to introduce software techniques suitable to support new experimental requirements for multi-scale simulation are discussed.

In this letter, we consider a 3D molecular communication via diffusion system (MCvDS) with a single point transmitter and multiple fully-absorbing spherical receivers whose centers are distributed as a Poisson point process (PPP) in the…

The increasing complexity of HPC architectures and the growing adoption of irregular scientific algorithms demand efficient support for asynchronous, multithreaded communication. This need is especially pronounced with Asynchronous…

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Machine learning interatomic potentials (MLIPs) are an emerging modeling technique that promises to provide electronic structure theory accuracy for a fraction of its cost, however, the transferability of MLIPs is a largely unknown factor.…