Ziji Zhang, Peng Zhang, et al.
Frontiers in Molecular Biosciences
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.
Ziji Zhang, Peng Zhang, et al.
Frontiers in Molecular Biosciences
Changnian Han, Peng Zhang, et al.
Journal of Supercomputing
Ziji Zhang, Georgios Kementzidis, et al.
Computer Physics Communications
Changnian Han, Peng Zhang, et al.
Journal of Computational Physics