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Besides their huge technological importance, fluidized beds have attracted a large amount of research because they are perfect playgrounds to investigate highly dynamic particulate flows. Their over-all behavior is determined by…
We present a comprehensive validation, performance characterization, and scalability analysis of a hardware-accelerated phase-averaged multiscale solver designed to simulate acoustically driven dilute bubbly suspensions. The carrier fluid…
Merging natural language interfaces with computational fluid dynamics (CFD) workflows presents transformative opportunities for both industry and research. In this study, we introduce OptMetaOpenFOAM - a novel framework that bridges…
We propose a novel approach for modeling chemical reactions within the particle-based Fokker-Planck framework for gas flow simulations which conserves mass, momentum, and energy while retaining the performance advantages of the…
The study of alloys using computational methods has been a difficult task due to the usually unknown stoichiometry and local atomic ordering of the different structures experimentally. In order to combat this, first-principles methods have…
This paper presents a load balancing strategy for reaction rate evaluation and chemistry integration in reacting flow simulations. The large disparity in scales during combustion introduces stiffness in the numerical integration of the PDEs…
Computational codes for direct numerical simulations of Rayleigh-B\'enard (RB) convection are compared in terms of computational cost and quality of the solution. As a benchmark case, RB convection at $Ra=10^8$ and $Pr=1$ in a periodic…
Current trends in the computer graphics community propose leveraging the massive parallel computational power of GPUs to accelerate physically based simulations. Collision detection and solving is a fundamental part of this process. It is…
The use of reduced and mixed precision computing has gained increasing attention in high-performance computing (HPC) as a means to improve computational efficiency, particularly on modern hardware architectures like GPUs. In this work, we…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
Several challenging problem in clustering, partitioning and imaging have traditionally been solved using the "spectral technique". These problems include the normalized cut problem, the graph expander ratio problem, the Cheeger constant…
Data-driven methods for computer simulations are blooming in many scientific areas. The traditional approach to simulating physical behaviors relies on solving partial differential equations (PDE). Since calculating these iterative…
Stable partitioned techniques for simulating unsteady fluid-structure interaction (FSI) are known to be computationally expensive when high added-mass is involved. Multiple coupling strategies have been developed to accelerate these…
Immersed methods discretize boundary conditions for complex geometries on background Cartesian grids. This makes such methods especially suitable for two-way coupled flow-body problems, where the body mechanics are partially driven by…
The Direct Simulation Monte Carlo (DSMC) method was widely used to simulate low density gas flows with large Knudsen numbers. However, DSMC encounters limitations in the regime of lower Knudsen numbers (Kn<0.1). In such cases, approaches…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…
Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. Developing methods that make use of first/second order information about rigid-body dynamics in the presence…
Solving for detailed chemical kinetics remains one of the major bottlenecks for computational fluid dynamics simulations of reacting flows using a finite-rate-chemistry approach. This has motivated the use of fully connected artificial…
Simulation of materials is one of the most promising applications of quantum computers. On near-term hardware the crucial constraint on these simulations is circuit depth. Many quantum simulation algorithms rely on a layer of unitary…