Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
An Initial Design-enhanced Deep Learning-based Optimization Framework to Parameterize Multicomponent ReaxFF Force Fields
, Authors:
Mert Sengul, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C.T. van Duin
Version 2 posted 22 June 2020
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