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Automated ReaxFF parametrization using machine learning
by
Daksha, Chaitanya M.
,
Yeon, Jejoon
,
Chowdhury, Sanjib C.
,
Gillespie Jr, John W.
Published in
Computational materials science
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Development of Mg/Al/Si/O ReaxFF Parameters for Magnesium Aluminosilicate Glass Using an Artificial Neural Network-Assisted Genetic Algorithm
by
Yeon, Jejoon
,
Chowdhury, Sanjib C.
,
Daksha, Chaitanya M.
,
Gillespie, John W.
Published in
Journal of physical chemistry. C
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