INDEEDopt: a deep learning-based ReaxFF parameterization framework

Mert Y. Sengul*, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C.T. van Duin*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

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Chemical Engineering