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A key part of planning CO2 storage sites is to devise a monitoring strategy. The aim of this strategy is to fulfill the requirements of legislations and lower cost of the operation by avoiding operational problems. If CCS is going to be a…
Filters approximately store a set of items while trading off accuracy for space-efficiency and can address the limited memory on accelerators, such as GPUs. However, there is a lack of high-performance and feature-rich GPU filters as most…
Complex systems often show macroscopic coherent behavior due to the interactions of microscopic agents like molecules, cells, or individuals in a population with their environment. However, simulating such systems poses several…
Sustainability in high performance computing (HPC) is a major challenge not only for HPC centers and their users, but also for society as the climate goals become stricter. A lot of effort went into reducing the energy consumption of…
This study established a quantum-classical hybrid framework that integrates quantum computing paradigm with meshfree finite particle method. By harnessing quantum superposition and entanglement, it hybridized the critical computational…
This paper presents an accurate density computation approach for large dark matter simulations, based on a recently introduced phase-space tessellation technique and designed for massively parallel, heterogeneous cluster architectures. We…
Traditional computational fluid dynamics calculates the physical information of the flow field by solving partial differential equations, which takes a long time to calculate and consumes a lot of computational resources. We build a fluid…
Simulating water droplets made up of millions of molecules and on timescales as needed in biological and technological applications is challenging due to the difficulty of balancing accuracy with computational capabilities. Most detailed…
Cost of serving large language models (LLM) is high, but the expensive and scarce GPUs are poorly efficient when generating tokens sequentially, unless the batch of sequences is enlarged. However, the batch size is limited by some…
Machine learning force fields possess unprecedented potential in achieving both accuracy and efficiency in molecular simulations. Nevertheless, their application in organic systems is often hindered by structural collapse during simulation…
We present a flexible scalable open-source computational framework, named SECUReFoam, based on the finite-volume library OpenFOAM(R), for flow and transport problems in highly heterogeneous geological media and other porous materials. The…
The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems…
Accurate and efficient prediction of multi-scale flows remains a formidable challenge. Constructing theoretical models and numerical methods often involves the design and optimization of parameters. While gradient descent methods have been…
In order to prevent velocity, pressure, and temperature spikes at material discontinuities occurring when the interface-capturing schemes inconsistently simulate compressible multi-material flows(when the specific heats ratio is…
To design a method to solve the issues of handling 'dirty' and highly complex geometries, the topology-free method combined with the immersed boundary method is presented for viscous and incompressible flows at a high Reynolds number. The…
In this paper we would like to share our experience for transforming a parallel code for a Computational Fluid Dynamics (CFD) problem into a parallel version for the RedisDG workflow engine. This system is able to capture heterogeneous and…
While Physics-Informed Neural Networks (PINNs) offer a mesh-free approach to solving PDEs, standard point-wise residual minimization suffers from convergence pathologies in topologically complex domains like Triply Periodic Minimal Surfaces…
The permeability of complex porous materials can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as…
The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…
Extreme events play a crucial role in fluid turbulence. Inspired by methods from field theory, these extreme events, their evolution and probability can be computed with help of the instanton formalism as minimizers of a suitable action…