DIEP seminar by Jaehyeok Jin
Bottoms Up! Pouring Molecular Insights into Multiscale Modeling
With their intrinsically multiscale nature, molecules serve as particularly essential systems for studying multiscale modeling, with emergent properties spanning from the femto- to exa-scales. However, capturing the microscopic details underlying large-scale dynamics and providing predictive insights beyond current experimental capabilities present significant challenges, especially when these phenomena are tightly coupled across spatiotemporal scales. In this talk, I will present statistical mechanical design principles for next-generation coarse-grained models of molecular soft matter. Grounded in first-principles statistical physics, I will illustrate how to systematically develop bottom-up coarse-grained models using microscopic information to seamlessly bridge the scales—from quantum to molecular, molecular to mesoscopic, and then ultimately to the macroscopic. This physics-driven coarse-graining approach is poised to deliver predictive and explanatory capabilities for understanding complex multiscale processes.
If you wish to attend this seminar online, please send an email to m.t.pham@uva.nl to receive the zoom-link.