Grid convergence of PyGBE-LSPR with a silver nano sphere and with BSA sensor system
datasetposted on 23.12.2018, 13:11 by Natalia C. ClementiNatalia C. Clementi, Christopher D. Cooper, Lorena A. BarbaLorena A. Barba
Reproducibility package for the paper PyGBe-LSPR---Computational nanoplasmonics for biosensing applications.
Contains all the files needed to reproduce the figures that present convergence analyses with the PyGBE software using its latest LSPR extension. These are two results, presented in Figures 5 and 8 of the paper:
1. Grid convergence with a single silver nano sphere.
2. Grid convergence with a BSA sensor system.
The BSA sensor system corresponds to a silver spherical sensor with a protein of bovine serum albumin located at 1 nm distance.
The included Jupyter notebook displays the results as well as reproduces the plots as they appear in the paper.
The user only needs to doweled the .zip file—the images are duplicated on this deposit at the root level, to take advantage the Figshare viewer.
EAGER: Cyberinfrastructure Reproducibility Project: Computational Science and Engineering
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