Consistent Integration of Experimental and Ab Initio Data into Effective Physical Models.


We describe and test theoretical principles for consistent integration of experimental and ab initio data from diverse sources into a single statistical mechanical model. The approach is based on the recently introduced concept of statistical distance between partition functions, uses a simple vector algebra formalism to describe measurement outcomes and… (More)
DOI: 10.1021/acs.jctc.7b00114

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