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Material Measurement Laboratory / Chemical Sciences Division

Chemical Informatics Group

Projects/Programs

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Figure with data points and lines, with the x axis labeled “unreliability” and the y axis labeled “error”.

Virtual Measurements

Ongoing
Intended Impact When engineering data, such as for reactive-chemical hazards, are obtained using quantum chemistry, the lack of associated uncertainties means that the reliability of the data is poorly known. Safety thus requires a skeptical view, often leading to expensive over-design. Objective