• Choosing the right configuration. Part of the complexity of computational chemistry lies in its approximation to the exact solution of the Schrödinger equation. This necessity of making an approximation leads, in practice, to the user's choice of software, electronic structure method, wavefunction basis, and other details of the calculation setup. As these are all details that impact the final outcome of a calculation, the appropriate choices rely heavily on "know-how" that is often present but not adequately summarized in the literature . With LLMs learning from open-source repositories, books, and papers, this latent knowledge in computational chemistry configuration can, in principle, be extracted and better democratized to everyone who wants to do computer simulations of chemistry. Nevertheless, as in other areas where LLMs will be applied, publication bias or knowledge source could influence such summarized recommendations.