Posts from notebooks

jupyter
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A Jupyter notebook in posts/ becomes a post, rendered from its saved outputs.
Author

John Kitchin

Published

October 13, 2026

A notebook in posts/<slug>/index.ipynb is a post. Quarto renders it from the outputs already saved in the notebook and does not run it, so code that needs a GPU, a DFT code or a license still works here. Write the post in org-mode and export it with ox-ipynb, or write it in Jupyter directly.

import numpy as np

# Arrhenius rate constants
Ea = 75e3   # J/mol
A = 1e13    # 1/s
R = 8.314
T = np.array([300, 400, 500, 600])
k = A * np.exp(-Ea / (R * T))
for Ti, ki in zip(T, k):
    print(f'{Ti} K: k = {ki:.3e} 1/s')
300 K: k = 8.727e-01 1/s
400 K: k = 1.606e+03 1/s
500 K: k = 1.461e+05 1/s
600 K: k = 2.954e+06 1/s

The rate constant goes up by more than six orders of magnitude between 300 K and 600 K.