Hesam Makki

My research focuses on the digital discovery and design of soft matter for sustainability, combining computational modeling, high-throughput simulations, and data-driven methodologies to accelerate the development of functional materials. We have developed computational platforms such as PolySMart and GAMMPS, which facilitate and automate polymer modeling and property prediction. These versatile tools can be applied to a broad range of soft-matter systems, enabling the rapid discovery and design of semiconducting polymers, polymer membranes, supramolecular nanomaterials, and dynamic or covalent adaptable polymer networks.

Building on this foundation, our current efforts focus on advancing and implementing new in silico discovery frameworks for sustainable soft materials. These include biodegradable and recyclable polymers that support circular material design, as well as functional systems such as bioelectronic materials and nano-carriers for nanomedicine, aimed at addressing challenges in both environmental sustainability, energy, and human health.

I welcome inquiries from prospective PhD students interested in computational materials science, polymer modeling, and the digital design of sustainable soft matter. Students motivated to explore these areas are encouraged to contact me to discuss potential research opportunities.