Search Results for author: Denis Constales

Found 1 papers, 0 papers with code

Data Driven Reaction Mechanism Estimation via Transient Kinetics and Machine Learning

no code implementations17 Nov 2020 M. Ross Kunz, Adam Yonge, Zongtang Fang, Andrew J. Medford, Denis Constales, Gregory Yablonsky, Rebecca Fushimi

As such, this work details a methodology based on the combination of transient rate/concentration dependencies and machine learning to measure the number of active sites, the individual rate constants, and gain insight into the mechanism under a complex set of elementary steps.

BIG-bench Machine Learning

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