Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling

Yingchun Zhang, Xiandong Liu, Adri C. T. van Duin, Xiancai Lu, Evert Jan Meijer

Open source

DOI
10.1063/5.0194486
Published
2024-03-01
Container
The Journal of Chemical Physics
Publisher
AIP Publishing
Open access
unknown

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BibTeX

@article{allodium:10.1063/5.0194486,
  title = {Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling},
  author = {Yingchun Zhang and Xiandong Liu and Adri C. T. van Duin and Xiancai Lu and Evert Jan Meijer},
  year = {2024},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0194486},
  url = {https://doi.org/10.1063/5.0194486}
}

RIS

TY  - JOUR
TI  - Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling
AU  - Yingchun Zhang
AU  - Xiandong Liu
AU  - Adri C. T. van Duin
AU  - Xiancai Lu
AU  - Evert Jan Meijer
PY  - 2024
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0194486
UR  - https://doi.org/10.1063/5.0194486
ER  - 

APA

Zhang, Y., Liu, X., Duin, A. C. T. V., Lu, X., & Meijer, E. J. (2024). Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling. The Journal of Chemical Physics. https://doi.org/10.1063/5.0194486

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