Advancing reaction kinetics modeling with an ab initio trained machine learning based molecular dynamics model (aML-MD)
Oral presentation · 14th U.S. National Combustion Meeting
Boston, MA ·
I presented a molecular dynamics approach to estimating combustion reaction rates from ab initio training data. The talk appeared in session 1D11.
Authors Zhiyu Shi, Aditya D. Lele, Ahren W. Jasper, Stephen J. Klippenstein, and Yiguang Ju.