Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles

J. C. S. Kadupitiya, Geoffrey C. Fox, Vikram Jadhao. Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles. IJHPCA, 34(3), 2020. [doi]

Authors

J. C. S. Kadupitiya

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Geoffrey C. Fox

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Vikram Jadhao

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