About this blog
Here I will post notes about coding, machine learning, and other stuff that might be useful in a dayly work routine or research.
For example, ASE is an amazing python package to work with atom structures. To create the narrowest armchair graphene nanoribbon type:
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vacuum = 9.0
from ase.build import graphene_nanoribbon
atoms = graphene_nanoribbon(3/2, 1, type='armchair', saturated=True, C_H=1.1, C_C=1.4, vacuum=vacuum, magnetic=True, initial_mag=1.12)
and to show the structure in Visual Code (you would need Jupyter extension installed on VScode):
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import nglview as nv
v = nv.show_ase(atoms)
v.background = 'black'
v