Hello,
I am beginner in Materials studio software and also in Molecular dynamics and I am needing to build a silica nanosphere with different numbers of hydroxyl groups to adsorb some molecules. Could someone help me to solve this issue?
Thank you.
I think that it might be better that you first code a little program as with Matlab to place your atoms at given coordinates (respecting the correct covalent bonds) on the nanosphere, then you have to make the generated data file compatible as input of Material Studio, and hence you can relax the structure to equilibrium with MD...
You may create the model of sufficiently big lattice of crystal SiO2 with periodical boundary conditions, and then to cut out the spherical volume with the center in some Si atom.
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