Learn chemistry with Python, from stoichiometry to molecular simulation (opens in new tab)

Chemistry is full of calculations that are tedious by hand and clarifying in code. Writing the computation forces you to be precise about what is actually happening, and Python turns abstract formulas into things you can run, test, and tweak. Here is a tour of what coding chemistry looks like. Stoichiometry The arithmetic of reactions: given an equation and an amount of one substance, how much of another is produced or consumed. Coding it makes mole ratios concrete. # 2 H2 + O2 -> 2 H2O def w...