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Global optimization of parameters in the reactive force field ReaxFF for SiOH., , and . J. Comput. Chem., 34 (25): 2178-2189 (2013)De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers., , , , , , , , , and 1 other author(s). Int. J. High Perform. Comput. Appl., 22 (1): 113-128 (2008)CLAIMED: A CLAssification-Incorporated Minimum Energy Design to explore a multivariate response surface with feasibility constraints., , , , , and . CoRR, (2020)Reduced yield stress for zirconium exposed to iodine: reactive force field simulation., , and . Adv. Model. Simul. Eng. Sci., 1 (1): 19:1-19:8 (2014)Global optimization of parameters in the reactive force field ReaxFF for SiOH., , and . CoRR, (2019)First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface., , and . J. Comput. Chem., 34 (23): 1982-1996 (2013)CLAIMED: A CLAssification-Incorporated Minimum Energy Design to Explore a Multivariate Response Surface With Feasibility Constraints., , , , , and . IEEE Trans Autom. Sci. Eng., 19 (4): 2862-2873 (2022)Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques., , , and . SIAM J. Sci. Comput., (2012)