Scalable, Cloud-Based Simulations of Blood Flow and Targeted Drug Delivery in Retinal Capillaries

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Hauptverfasser: Amoudruz, Lucas, Litvinov, Sergey, Murri, Riccardo, Eyrich, Volker, Zudrop, Jens, Bekas, Costas, Koumoutsakos, Petros
Format: Preprint
Veröffentlicht: 2025
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author Amoudruz, Lucas
Litvinov, Sergey
Murri, Riccardo
Eyrich, Volker
Zudrop, Jens
Bekas, Costas
Koumoutsakos, Petros
author_facet Amoudruz, Lucas
Litvinov, Sergey
Murri, Riccardo
Eyrich, Volker
Zudrop, Jens
Bekas, Costas
Koumoutsakos, Petros
contents We investigate the capabilities of cloud computing for large-scale,tightly-coupled simulations of biological fluids in complex geometries, traditionally performed in supercomputing centers. We demonstrate scalable and efficient simulations in the public cloud. We perform meso-scale simulations of blood flow in image-reconstructed capillaries, and examine targeted drug delivery by artificial bacterial flagella (ABFs). The simulations deploy dissipative particle dynamics (DPD) with two software frameworks, Mirheo (developed by our team) and LAMMPS. Mirheo exhibits remarkable weak scalability for up to 512 GPUs. Similarly, LAMMPS demonstrated excellent weak scalability for pure solvent as well as for blood suspensions and ABFs in reconstructed retinal capillaries. In particular, LAMMPS maintained weak scaling above 90% on the cloud for up to 2,000 cores. Our findings demonstrate that cloud computing can support tightly coupled, large-scale scientific simulations with competitive performance.
format Preprint
id arxiv_https___arxiv_org_abs_2512_02090
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Scalable, Cloud-Based Simulations of Blood Flow and Targeted Drug Delivery in Retinal Capillaries
Amoudruz, Lucas
Litvinov, Sergey
Murri, Riccardo
Eyrich, Volker
Zudrop, Jens
Bekas, Costas
Koumoutsakos, Petros
Fluid Dynamics
Computational Engineering, Finance, and Science
Performance
We investigate the capabilities of cloud computing for large-scale,tightly-coupled simulations of biological fluids in complex geometries, traditionally performed in supercomputing centers. We demonstrate scalable and efficient simulations in the public cloud. We perform meso-scale simulations of blood flow in image-reconstructed capillaries, and examine targeted drug delivery by artificial bacterial flagella (ABFs). The simulations deploy dissipative particle dynamics (DPD) with two software frameworks, Mirheo (developed by our team) and LAMMPS. Mirheo exhibits remarkable weak scalability for up to 512 GPUs. Similarly, LAMMPS demonstrated excellent weak scalability for pure solvent as well as for blood suspensions and ABFs in reconstructed retinal capillaries. In particular, LAMMPS maintained weak scaling above 90% on the cloud for up to 2,000 cores. Our findings demonstrate that cloud computing can support tightly coupled, large-scale scientific simulations with competitive performance.
title Scalable, Cloud-Based Simulations of Blood Flow and Targeted Drug Delivery in Retinal Capillaries
topic Fluid Dynamics
Computational Engineering, Finance, and Science
Performance
url https://arxiv.org/abs/2512.02090