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cond-mat.mtrl-sci2019★ 59 cited
Quantified Uncertainty in Thermodynamic Modeling for Materials Design
Noah H Paulson, Brandon J Bocklund, Richard A Otis +2
Phase fractions, compositions and energies of the stable phases as a function of macroscopic composition, temperature, and pressure (X-T-P) are the principle correlations needed fo…
cond-mat.mtrl-sci2018
Bayesian strategies for uncertainty quantification of the thermodynamic properties of materials
Noah H. Paulson, Elise Jennings, Marius Stan
Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams, th…