Published August 13, 2021
Dr. Eric Walker of UB's Institute for Computational and Data Sciences developed software for making the difficult decision of which experiments to run a little easier
“Who chooseth me ...” In The Merchant of Venice, a choice is made among three caskets. The chooser has only one opportunity to make the right choice. In a scenario in which experimental choices are limited, some experiments reduce model uncertainty and reveal physical insights while other experiments are uninformative. It is paramount to choose the right experiments ahead of time. The Chemical Kinetics Parameter Estimation and Uncertainty Quantification (CheKiPEUQ) software uses Bayesian methods to identify the right experiments to reveal physical insights. CheKiPEUQ was developed on Center for Computational Research resources in collaboration with Oak Ridge National Laboratory.