Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas-phase structures of organic molecules - researchr publication authors

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Nikolai Andreadi, Dmitry V. Zankov, Kirill Karpov, Artem Mitrofanov. Tree Parzen estimator for global geometry optimization: A benchmark and database of experimental gas-phase structures of organic molecules. Journal of Computational Chemistry, 43(21):1434-1441, 2022. [doi]

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