Benchmark study on deep neural network potentials for small organic molecules

Rohit Modee, Siddhartha Laghuvarapu, U. Deva Priyakumar. Benchmark study on deep neural network potentials for small organic molecules. Journal of Computational Chemistry, 43(5):308-318, 2022. [doi]

Authors

Rohit Modee

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Siddhartha Laghuvarapu

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U. Deva Priyakumar

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