AI-aided multiscale modeling of physiologically-significant blood clots

YC Zhu and CN Han and P Zhang and GJ Cong and JR Kozloski and CC Yang and LL Zhang and YF Deng, COMPUTER PHYSICS COMMUNICATIONS, 287, 108718 (2023).

DOI: 10.1016/j.cpc.2023.108718

We have developed an AI-aided multiple time stepping (AI-MTS) algorithm and multiscale modeling framework (AI-MSM) and implemented them on the AiMOS supercomputer. AI-MSM is the first of its kind to integrate multi- physics, including intra-platelet, inter-platelet, and fluid-platelet interactions, into one system. It has simulated a record-setting multiscale blood clotting model of 102 million particles, of which 70 flowing and 180 aggregating platelets, under dissipative particle dynamics to coarse-grained molecular dynamics. By adaptively adjusting timestep sizes to match the characteristic time scales of the underlying dynamics, AI-MTS optimally balances speeds and accuracies of the simulations.(c) 2023 Elsevier B.V. All rights reserved.

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