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0:16
YouTube
Simon Gravelle
Graphene oxide nanoparticle in interaction with water (molecular dynamics simulation with script)
The simulation is made using LAMMPS, the visualisation using VMD. The LAMMPS input file and force field parameters can be found here: https://github.com/simongravelle The oxygen atoms of water are the blue spheres, the hydrogen of water are the white sphere. Graphene atoms are in pink, and the OH groups in red and white. I used "make graphitics ...
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