logsdail Goto Github PK
Name: Andrew Logsdail
Type: User
Bio: All this science, I don't understand. It's just my job 5 days a week.
Twitter: a_logsdail
Andrew Logsdail's Projects
bond_distances_temp
carmm
Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
dfbingo
Twitter bot
dielectrics
Wavelength dependent dielectrics for metallic systems
external_examples
Example scripts and Jupyter notebooks that complement the code presented in our repositories.
fit_my_ecp
Software to fit ECPs for the boundary on a QM/MM calculation with ChemShell
gupta_minimiser_with_partial_pressure
logsdail.github.io
group_webpage
shell_permutations_cluster
surface_dipole
zcontrast
Software to match STEM image with nanoparticle structure/orientation, as discussed in "Development and optimization of a novel genetic algorithm for identifying nanoclusters from scanning transmission electron microscopy images", Logsdail, Li and Johnston, J. Comp. Chem (2012), DOI: 10.1002/jcc.21976
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