Biomedical applications of ultrasound: Improving diagnostics and guiding drug delivery

Ultrasound is increasingly employed in diverse biomedical applications, serving as a non-invasive diagnostic tool for cancers (e.g., breast, stomach, liver), blood flow analysis, and therapeutic interventions like tissue coagulation, kidney stone comminution, and joint-related conditions. A noteworthy area of advancement is ultrasound-guided drug and gene delivery in nanomedical applications, allowing precise spatial delivery into target areas, particularly tumors. Computational approaches play a pivotal role in optimizing these biomedical applications, facilitating controlled testing and rational parameter optimization. While continuum numerical methods are commonly used for simulating ultrasound in tissues, particle-based simulations, such as Molecular Dynamics (MD), are less frequent due to implementation challenges. The integration of multiscale methods is proposed for large-scale simulations, enabling concurrent coupling of atomistic, supramolecular, and continuum water models. This integration, implemented in community codes (LAMMPS and waLBerla), aims to provide a virtual ultrasound machine to be employed in targeted drug delivery simulations.

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