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High-fidelity computational fluid dynamics (CFD) simulations for design space explorations can be exceedingly expensive due to the cost associated with resolving the finer scales. This computational cost/accuracy trade-off is a major…
A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…
Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental operation in graph computing and analytics. However, the irregularity of real-world graphs poses significant challenges to achieving efficient SpMM operation for graph data on…
Semidefinite programming (SDP) is widely acknowledged as one of the most effective methods for deriving the tightest lower bounds of the optimal power flow (OPF) problems. In this paper, an enhanced semidefinite relaxation model that…
Sparse Matrix Vector multiplication (SpMV) is one of basic building blocks in scientific computing, and acceleration of SpMV has been continuously required. In this research, we aim for accelerating SpMV on recent CPUs for sparse matrices…
In this paper, we focus on three sparse matrix operations that are relevant for machine learning applications, namely, the sparse-dense matrix multiplication (SPMM), the sampled dense-dense matrix multiplication (SDDMM), and the composition…
The aim of this paper is two-fold: (1) to provide a detailed investigation of the turbulent flow in an inline high-shear rotor stator mixer; (2) to provide a comparison of two different classes of turbulence models and solution methods…
Computational fluid dynamics (CFD) simulations are broadly applied in engineering and physics. A standard description of fluid dynamics requires solving the Navier-Stokes (N-S) equations in different flow regimes. However, applications of…
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…
Recently, graphics processors (GPUs) have been increasingly leveraged in a variety of scientific computing applications. However, architectural differences between CPUs and GPUs necessitate the development of algorithms that take advantage…
We present our recent code modernizations of the of the ab initio molecular dynamics program CPMD (www.cpmd.org) with a special focus on the ultra-soft pseudopotential (USPP) code path. Following the internal instrumentation of CPMD, all…
Classical Computational Fluid Dynamics (CFD) of long-time processes with strongly separated time scales is computationally extremely demanding if not impossible. Consequently, the state-of-the-art description of such systems is not capable…
Combining machine learning (ML) with computational fluid dynamics (CFD) opens many possibilities for improving simulations of technical and natural systems. However, CFD+ML algorithms require exchange of data, synchronization, and…
The paper presents a strategy to construct an incremental Singular Value Decomposition (SVD) for time-evolving, spatially 3D discrete data sets. A low memory access procedure for reducing and deploying the snapshot data is presented.…
This work presents a multi-layered methodology for efficiently accelerating multimodal foundation models (MFMs). It combines hardware and software co-design of transformer blocks with an optimization pipeline that reduces computational and…
Graph Convolutional Networks (GCNs) are recently getting much attention in bioinformatics and chemoinformatics as a state-of-the-art machine learning approach with high accuracy. GCNs process convolutional operations along with graph…
Sparse-dense linear algebra is crucial in many domains, but challenging to handle efficiently on CPUs, GPUs, and accelerators alike; multiplications with sparse formats like CSR and CSF require indirect memory lookups. In this work, we…
In this work I present a technique of construction and fast evaluation of a family of cubic polynomials for analytic smoothing and graphical rendering of particles trajectories for flows in a generic geometry. The principal result of the…
To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale framework was proposed in this paper by applying a physics-guided data-driven approach. Instrumental to this framework, Feature Similarity…
We present MARUT, a scalable multi-GPU computational fluid dynamics (CFD) framework designed for high-fidelity simulations of compressible flows spanning subsonic to hypersonic regimes, including chemically reacting nonequilibrium flows…