/Pr-AuNR-opt

Data and code for project on optimization of AuNRs

Primary LanguageJupyter Notebook

Revisiting El-Sayed Synthesis: Bayesian Optimization for Revealing New Insights during the Growth of Gold Nanorods Name

This repository contains data for Revisiting El-Sayed Synthesis: Bayesian Optimization for Revealing New Insights During AuNR Growth Link to the paper: https://pubs.acs.org/doi/10.1021/acs.chemmater.4c00271

Prerequisites

The requirements file is placed in aunr_opt_env.yaml


### Project structure

This repository contains the following subfolders and files in the root folder.


### Note:
- To generate Figure S7, and S8, run the Fig_S7_S8.ipynb notebook, and the plots will be generated in the src folder itself. 
- The jupyter notebook (Fig_S5_3b_3c.ipynb) will generate Figure 3c too. Exp 1, 7, 11 were selected to prepare Figure 3c.

.
|--CITATION
|--README.md
|--LICENSE.txt
|--requirements.yaml              # Python requirements file
|--data                          # raw data from each exp technique
|--|--TEM
|--|--UV-Vis-NIR
|--doc
|--|--Overleaf			        # here come all files from Overleaf folder
|--results						# Final and intermediate results
|--|--figures					# Final version figure in pdf or png
|--|--figures|--si         # Final version figures for SI in pdf or png
|--src							# Source folder for all scripts/jupyter