Thread by @BenBlaiszik

Great story from @Mechanophore and colleagues @UofIllinois. From skeptic to believer: the power of models. Let's take a look at some of these journeys and what we can learn.

✨What is your story?✨

#MaterialsDataMonth #academictwitter @OpenAcademics
doi.org/10.1016/j.tet.…

@Mechanophore's story - seeing models make intriguing predictions into reaction behavior. "A key turning point for me was seeing how FEA of Frontal Ring-Opening Metathesis Polymerizations simulates autonomous curing processes by balancing reaction enthalpy with heat transport"

@MrBSussels Story - modeled complex reaction mechanisms using a simplified graphical abstraction to create a system of coupled linear equations and analytically solved them to provide an empirical rate law in agreement with the experimental observations. Skeptic → Believer

A thorough review of the MGI data-driven approach and successes in soft materials, glasses, topological materials, catalyst discovery and many more can be found in this excellent paper by Juan de Pablo and @TheJacksonLab. doi.org/10.1038/s41524… #MGI