The ReaxFF reactive force-field: development, applications and future directions

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Bibliographic Details
Published in:npj computational materials 2016-03, Vol.2 (1)
Main Authors: Senftle, Thomas P., Hong, Sungwook, Islam, Md Mahbubul, Kylasa, Sudhir B., Zheng, Yuanxia, Shin, Yun Kyung, Junkermeier, Chad, Engel-Herbert, Roman, Janik, Michael J., Aktulga, Hasan Metin, Verstraelen, Toon, Grama, Ananth, van Duin, Adri C. T.
Format: Article
Language:English
Subjects:
catalysis (heterogeneous), solar (fuels), energy storage (including batteries and capacitors), hydrogen and fuel cells, electrodes - solar, mechanical behavior, charge transport, materials and chemistry by design, synthesis (novel materials)
Online Access:Get full text
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ISSN:2057-3960
2057-3960
DOI:10.1038/npjcompumats.2015.11