Automated ReaxFF parametrization using machine learning
Daksha, Chaitanya M., Yeon, Jejoon, Chowdhury, Sanjib C., Gillespie Jr, John W.
Published in Computational materials science (01.02.2021)
Published in Computational materials science (01.02.2021)
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Journal Article
Development of Mg/Al/Si/O ReaxFF Parameters for Magnesium Aluminosilicate Glass Using an Artificial Neural Network-Assisted Genetic Algorithm
Yeon, Jejoon, Chowdhury, Sanjib C., Daksha, Chaitanya M., Gillespie, John W.
Published in Journal of physical chemistry. C (26.08.2021)
Published in Journal of physical chemistry. C (26.08.2021)
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Journal Article
Mechanical properties and damage analysis of S-glass: A reactive molecular dynamics study
Yeon, Jejoon, Chowdhury, Sanjib C., Gillespie, John W.
Published in Composites. Part B, Engineering (01.04.2022)
Published in Composites. Part B, Engineering (01.04.2022)
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Journal Article
Mechanochemical Association Reaction of Interfacial Molecules Driven by Shear
Khajeh, Arash, He, Xin, Yeon, Jejoon, Kim, Seong H, Martini, Ashlie
Published in Langmuir (29.05.2018)
Published in Langmuir (29.05.2018)
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Journal Article
Development of the ReaxFF Methodology for Electrolyte–Water Systems
Fedkin, Mark V, Shin, Yun Kyung, Dasgupta, Nabankur, Yeon, Jejoon, Zhang, Weiwei, van Duin, Diana, van Duin, Adri C. T, Mori, Kento, Fujiwara, Atsushi, Machida, Masahiko, Nakamura, Hiroki, Okumura, Masahiko
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.03.2019)
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Journal Article
Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)
Yeon, Jejoon, Adams, Heather L, Junkermeier, Chad E, van Duin, Adri C. T, Tysoe, Wilfred T, Martini, Ashlie
Published in The journal of physical chemistry. B (18.01.2018)
Published in The journal of physical chemistry. B (18.01.2018)
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Journal Article