ReaxFF molecular dynamics simulations on the structure and...

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Computational Materials Science 2019 / 10

ReaxFF molecular dynamics simulations on the structure and dynamics of electrolyte water systems at ambient temperature

Dasgupta, Nabankur, Kyung Shin, Yun, Fedkin, Mark V., van Duin, Adri C.T.
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Journal:
Computational Materials Science
DOI:
10.1016/j.commatsci.2019.109349
Date:
October, 2019
File:
PDF, 3.14 MB
2019
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