My research focuses on the particle-based multiscale simulation of synthetic and biological soft matter, such as hierarchical assembly block copolymer and proteins, and the flow of colloidal and cellular systems.
My three main research topics are i) the self-assembly and thermodynamic similarities between biological and synthetic molecules, ii) the multiscale modelling of biological systems (proteins, organelles, viruses, and cells), and iii) consistent coarse-graining methodologies for particle-based models. My research is driven by a workflow involving theoretical/computational/experimental interdisciplinary interactions. My goal is to provide reliable computational models to gain insights into hierarchical assembly pathways and provide experimentalist tools to design better methodologies/materials.
Currently, I am working on the multiscale modelling of thrombotic processes related to SARS-CoV-2. I have also investigated the role of hydrodynamic interactions in the transport of viruses. In this work, the interplay between the shape and affinity of the spike proteins decorating enveloped virus was investigated numerically.
- ViBRheo (101021893). Design of a virtual blood rheometer for thrombotic process characterization. Funded by European Union’s Horizon 2020 under the Marie Skłodowska-Curie. Individual Fellowships (score 97.4/100). 01/01/2022 to 31/12/2023. EUR 173k. https://vibrheo.bcamath.org/