The high-throughput highway to computational materials design.

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Theory-Guided Data Science: A New Paradigm for Scientific Discovery from Data (2016, background): “pounds in material science [22], [23], [24], design of density functionals in quantum chemistry [25], improved imaging technologies in bio-medical science [26], [27], discovery of genetic biomarkers [28], and the estimation of surface water”
New tolerance factor to predict the stability of perovskite oxides and halides (2018, neutral): “Alternatively, descriptor-based approaches enable high-throughput screening applications because they provide rapid estimates of material properties (7, 8).”
A critical review of high entropy alloys and related concepts (2016, methodology): “A quick review of classical thermodynamic literature suggests that enthalpy has had a favored position, especially regarding collection of thermodynamic data [54,62,64,351] and approaches to predict stable phases [170,348,352].”
ShengBTE: A solver of the Boltzmann transport equation for phonons (2014, background): “With this kind of configuration, our program can be a useful part of high-throughput studies, where sacrificing extreme accuracy for high performance is desirable [59].”