This week’s Chemical Science Pick of the Week #ChemSciPicks is from Todd Martinez et al. from Stanford University!

https://doi.org/10.1039/D3SC01202F

The authors have used a computational framework for automatic reaction discovery and kinetic model construction to explore the elementary reactions during methane pyrolysis. They automatically build the methane reaction network, going from ab initio molecular dynamics to kinetic modeling predictions.

#chemistry #chemiverse @chemistry