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Simulation of turbulent flows, especially at the edges of clouds in the atmosphere, is an inherently challenging task. Hitherto, the best possible computational method to perform such experiments is the Direct Numerical Simulation (DNS).…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…
Large Language Models (LLMs) are revolutionizing numerous industries, but their substantial computational demands create challenges for efficient deployment, particularly in cloud environments. Traditional approaches to inference serving…
Applying popular machine learning algorithms to large amounts of data raised new challenges for the ML practitioners. Traditional ML libraries does not support well processing of huge datasets, so that new approaches were needed.…
We present STREAmS, an in-house high-fidelity solver for large-scale, massively parallel direct numerical simulations (DNS) of compressible turbulent flows on graphical processing units (GPUs). STREAmS is written in the Fortran 90 language…
High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking…
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…
We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…
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…
Many scientific and medical researchers are working towards the creation of a virtual human - a personalised digital copy of an individual - that will assist in a patient's diagnosis, treatment and recovery. The complex nature of living…
The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…
Streaming, big data applications face challenges in creating scalable data flow pipelines, in which multiple data streams must be collected, stored, queried, and analyzed. These data sources are characterized by their volume (in terms of…
High performance computing data is surging fast into the exabyte-scale world, where tape libraries are the main platform for long-term durable data storage besides high-cost DNA. Tape libraries are extremely hard to model, but accurate…
Simulating large-scale microswimmer dynamics in viscous fluid poses significant challenges due to the coupled high spatial and temporal complexity. Conventional high-performance computing (HPC) methods often address these two dimensions in…
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…
Ultrasound-vaporizable microdroplets can be exploited for targeted drug delivery. However, it requires customized microfluidic techniques able to produce monodisperse, capillary-sized and biocompatible multiple emulsions. Recent development…
Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…
Microcapsules with liquid cores encapsulated by thin membranes have many applications in science, medicine and industry. In this paper, we design a suspension of microcapsules which flow and deform like red blood cells (RBCs), as a valuable…
As the connectivity of consumer devices is rapidly growing and cloud computing technologies are becoming more widespread, cloud-aided techniques for parameter estimation can be designed to exploit the theoretically unlimited storage memory…
Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools, a complex software stack, as well as large and scalable compute and data analysis resources…