Closed ghutchis closed 8 years ago
Actually, the biggest difficulty will be in generating a library of crystal structures. Users are likely to say " create a gold nanoparticle sphere, X nm in diameter..." So we'll need a library of crystal structures for all metals, typical oxides, and other typical nanoparticle materials (CdS, CdSe, PbS, PbSe... etc)
If you can help gather the crystal files, generating the nanoparticles should be fairly easy.
Original comment by: @ghutchis
I disagree. We do have cif file support, from that... Well, that's pretty much it, there is all crystalographical info needed
Original comment by: jbaltrus
This is part of v1.1, although there is no "capping".
Original comment by: @ghutchis
As long as there is a good start on a crystal builder, why don't you implement some nice nanoparticle builder, e.g. cutting a selected shape (sphere, triangle) from the bulk crystal and capping it with selected atoms (e.g. H, Si, O) for charge neutrality? This is a tricky one...
Reported by: jbaltrus