Mohammad Sadegh Samie

(he/him)

PhD Student in Biomedical and Chemical Engineering

Professional Summary

I am a PhD student in Biomedical and Chemical Engineering at Syracuse University, where my primary adviser and PI is Dr. Radhakrishna Sureshkumar and my co-adviser is Dr. James Henderson. My research uses coarse-grained molecular dynamics to study polymer and surfactant self-assembly, with a focus on amphiphilic copolymer systems, micelles, vesicles, and the molecular mechanisms that drive morphology evolution.

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Interests

Coarse-Grained Molecular Dynamics Polymer and Surfactant Self-Assembly Block Copolymer Vesicles and Micelles MARTINI Force Field Modeling Computational Soft Matter

My Research

I study self-assembly in soft-matter systems using coarse-grained molecular dynamics simulations. My work focuses on how amphiphilic polymers and surfactants organize into micelles, vesicles, and related morphologies, and how chain architecture, hydrophobicity, and molecular packing shape those pathways.

Current projects use MARTINI-based models, GROMACS simulation workflows, VMD visualization, and Python/MDAnalysis post-processing to connect molecular-scale dynamics with experimentally relevant observables such as morphology evolution, diffusion, end-to-end distance distributions, and aggregate structure.

I am especially interested in computational approaches that help explain polymer and surfactant self-assembly in systems connected to experimental characterization, including NMR DOSY and related soft-matter measurements.

Featured Publications

Coarse-Grained Molecular Dynamics