Research Findings from National Institute of Standards and Technology Update Understanding of Chemical Information and Modeling

摘要

2011 MAR 2 - (VerticalNews.com) -- A new study, 'ThermoData Engine (TDE):rnsoftware implementation of the dynamic data evaluation concept. 5. Experiment planning andrnproduct design,' is now available. "ThermoData Engine (TDE) is the first full-scale softwarernimplementation of the dynamic data evaluation concept, as reported recently in this journal. Inrnthe present paper, we describe development of an algorithmic approach to assist experimentrnplanning through assessment of the existing body of knowledge, including availability ofrnexperimental thermophysical property data, variable ranges studied, associated uncertainties,rnstate of prediction methods, and parameters for deployment of prediction methods and howrnthese parameters can be obtained using targeted measurements, etc., and, indeed, how thernintended measurement may address the underlying scientific or engineering problem underrnconsideration," scientists writing in the Journal of Chemical Information and Modeling report.