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Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations

Aravind Krishnamoorthy, Ankit Mishra, Nicholas Grabar, Nitish Baradwaj, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta. Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations. Computer Physics Communications, 254:107337, 2020. [doi]

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