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PHYS 8990 Topic

Multiscale Modeling Nano-Bio Materials System

Yiping Zhao

Nanotechnology has profound impact on biological applications, such as drug delivery, disease treatment, bactericidal/viracidal, etc. Therefore, to understand how nanostructured materials interact with biological system is a key to extend and sophisticate these applications. This project we will focus on the following two aspects:

  1. Computational modeling of layer-by-layer nanomaterial self-assembly on bacteria cells or cancel cells: We will develop a coarse-grained molecular dynamics model to simulate the dynamic self-assembly process of charged nanoparticles on cells, analyze the pattern of self-assembled nanoparticle system, and establish the guideline from predictive modeling to design or control the self-assembly process in experiments for drug delivery, bactericidal effect, cancer cell killing and cell protection.
  2. Nanorod-mediated mechanical destruction of cell membrane: dissipative particle dynamics simulations will be performed to analyze the shape effect of magnetic nanorods (MNDs) on the integrity of cell membranes when they actively move around cell membranes so as to provide a novel mechanical design of cancer treatment using active rotational MNDs.
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