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, et al. (2016) The ReaxFF reactive force-field: development, applications and future directions. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.11

See Also

These are possibly similar items as determined by title/reference text matching only.

	Yoo, Pilsun, Sakano, Michael, Desai, Saaketh, Islam, Md Mahbubul, Liao, Peilin, Strachan, Alejandro (2021) Neural network reactive force field for C, H, N, and O systems. npj Computational Materials, 7. doi:10.1038/s41524-020-00484-3
	Shin, Yun Kyung, Ashraf, Chowdhury M., van Duin, Adri C. T. (2021) Development and Applications of the ReaxFF Reactive Force Field for Biological Systems. In Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer International Publishing. p.157-182. doi:10.1007/978-3-030-18778-1_9
	Hossain, Md Jamil, Gaikwad, Prashik, Shin, Yun Kyung, Schulze, Jessica A., Penrod, Katheryn A., Li, Meng, Lin, Yuxiao, Pawar, Gorakh, van Duin, Adri C. T. (2024) eReaxFF force field development for BaZr0.8Y0.2O3-δ solid oxide electrolysis cells applications. npj Computational Materials, 10 (1). doi:10.1038/s41524-024-01268-9
	Dittner, Mark, Müller, Julian, Aktulga, Hasan Metin, Hartke, Bernd (2015) Efficient global optimization of reactive force-field parameters. Journal of Computational Chemistry, 36 (20). 1550-1561 doi:10.1002/jcc.23966
	Yeon, Jejoon, Adams, Heather L., Junkermeier, Chad E., van Duin, Adri C. T., Tysoe, Wilfred T., Martini, Ashlie (2018) Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100). The Journal of Physical Chemistry B, 122 (2). 888-896 doi:10.1021/acs.jpcb.7b06976
	Aral, Gurcan, Islam, Md Mahbubul (2023) Effect of oxidation on mechanical properties of copper nanowire: A ReaxFF (reactive force field) molecular dynamics study. Journal of Applied Physics, 133 (9) 95302 doi:10.1063/5.0137394
	Zheng, Yuanxia, Hong, Sungwook, Psofogiannakis, George, Rayner, G. Bruce, Datta, Suman, van Duin, Adri C.T., Engel-Herbert, Roman (2017) Modeling and in Situ Probing of Surface Reactions in Atomic Layer Deposition. ACS Applied Materials & Interfaces, 9. 15848-15856 doi:10.1021/acsami.7b01618
	Shin, Yun Kyung, Gai, Lili, Raman, Sumathy, van Duin, Adri C. T. (2016) Development of a ReaxFF Reactive Force Field for the Pt–Ni Alloy Catalyst. The Journal of Physical Chemistry A, 120 (41). 8044-8055 doi:10.1021/acs.jpca.6b06770
	Xiong, Wei, Olson, Gregory B (2016) Cybermaterials: materials by design and accelerated insertion of materials. npj Computational Materials, 2. doi:10.1038/npjcompumats.2015.9
	Mahjoub, Reza, Hamilton, Nicholas E, Laws, Kevin J, Ferry, Michael (2016) Softening of phonon spectra in metallic glasses. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.29
	Li, Hai-Feng (2016) Possible ground states and parallel magnetic-field-driven phase transitions of collinear antiferromagnets. npj Computational Materials, 2. doi:10.1038/npjcompumats.2016.32