Attention modified schedule: the next seminar is at 5 pm CET, not 10 am CET
It is my pleasure to announce the next Palabos Online Seminar.
Date and Time: Wednesday September 1st, 5:00 pm CET
Participation Link: Zoom link
Palabos Online Seminar home page: https://palabos.unige.ch/community/palabos-online-seminar-series/
Speaker: Dr. Ying Li, Department of Mechanical Engineering, University of Connecticut
Title: Understanding Nanoparticle Transport in Human Vasculature Through Large-Scale Fluid-Structure Interaction Simulations
A large number of nanoparticles (NPs) have been raised for diverse biomedical applications and some of them have shown great potential in treatment and imaging of diseases. Design of NPs is essential for delivery efficacy due to a number of biophysical barriers, which prevents the circulation of NPs in vascular flow and their accumulation at tumor sites. The physiochemical properties of NPs, so-called ‘4S’ parameters, such as size, shape, stiffness and surface functionalization, play crucial roles in their life journey to be delivered to tumor sites. NPs can be modified in various ways to extend their blood circulation time and avoid their clearance by phagocytosis, and efficiently diffuse into tumor cells. Nevertheless, there are limited understandings on the blood circulation, near-wall adhesion and tumor transmigration behaviors of NPs under the influence of realistic physiological condition. In this talk, I will highlight a recently in-house developed fluid-structure interaction simulation package based on Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Palabos. We have implemented a parallelized lattice Boltzmann simulator within LAMMPS to handle the fluid flow simulation. The deformation and motion of red blood cells (RBCs) and NPs have been resolved by the spring-network models embedded within LAMMPS framework. These two components are seamlessly integrated within LAMMPS through immersed boundary method. The scaling performance and speedup test further confirm the high efficiency and robustness of proposed computational method. With this method, we have computationally explored the following phenomena: 1) anomalous vascular dynamics of nanoworms within blood flow; 2) adhesion effect on margination of elastic micro-particles; and 3) motion of magnetic particles under external magnetic field. In the end, I will discuss the future opportunity to extend the current simulation package for multiple different HPC platforms, such as Intel Xeon Phi, Knights Landing (KNL) and GPU (Pascal).
Dr. Ying Li joined the University of Connecticut in 2015 as an Assistant Professor in the Department of Mechanical Engineering. He received his Ph.D. in 2015 from Northwestern University, focusing on the multiscale modeling of soft matter and related biomedical applications. His current research interests are: multiscale modeling, computational materials design, mechanics and physics of polymers, machine learning-accelerated polymer design. Dr. Li’s achievements in research have been widely recognized by fellowships and awards, including NSF CAREER Award (2021), Air Force’s Young Investigator Award (2020), 3M Non-Tenured Faculty Award (2020), ASME Haythornthwaite Young Investigator Award (2019), NSF CRII Award (2018) and many others. He has authored and co-authored more than 100 peer-reviewed journal articles, including Physical Review Letters, ACS Nano, Biomaterials, Nanoscale, Macromolecules, Journal of Mechanics and Physics of Solids and Journal of Fluid Mechanics, etc. He has been invited as a reviewer for more than 80 international journals, such as Nature Communications and Science Advances. He currently serves as the Topic Editor of MDPI-Polymers, a leading international journal in the polymer field.