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searching for ReaxFF 7 found (19 total)

alternate case: reaxFF

Lithium–sulfur battery (5,104 words) [view diff] exact match in snippet view article find links to article

; Hennig, Richard G.; Kumar, Nitin; Duin, Adri C. T. van (2015-01-21). "ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials". Phys

Nitryl cyanide (167 words) [view diff] exact match in snippet view article find links to article

6-Trinitro-1,3,5-Triazine (TNTA) Green Energetic Materials from DFT and ReaxFF Molecular Modeling". Materials. 15 (11): 3873. Bibcode:2022Mate...15.3873Z

Gregory Odegard (1,723 words) [view diff] exact match in snippet view article find links to article

Zhang, Z. (2014). Predicting mechanical response of crosslinked epoxy using ReaxFF. Chemical Physics Letters, 591, 175–178. Odegard, G. M., Clancy, T. C.,

Car–Parrinello molecular dynamics (2,165 words) [view diff] exact match in snippet view article find links to article

Ruizhi; Li, Xiao; Wu, Guoguang; Meng, Xianliang (2021-12-31). "Combined ReaxFF and Ab Initio MD Simulations of Brown Coal Oxidation and Coal-Water Interactions"

Space Shuttle thermal protection system (4,074 words) [view diff] exact match in snippet view article find links to article

Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential". J. Phys. Chem. C. 117: 258–269. doi:10.1021/jp3086649. Stein

Superlubricity (1,130 words) [view diff] exact match in snippet view article find links to article

dynamics simulations. This team optimized LAMMPS and its implementation of ReaxFF by adding OpenMP threading, replacing MPI point-to-point communication with

Andres Jaramillo-Botero (1,842 words) [view diff] exact match in snippet view article find links to article

Goddard, III, William A.; Sun, Huai (June 2, 2014). "Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion" (PDF)