Cite Qemica

Using Qemica in a publication?

Cite the version you used — it is recorded in every result's provenance (Analyze → Overview and result.json), together with the engine component versions.

Recommended citation

Qemica Lab, Qemica: a computational chemistry workbench, version 0.2.1 (2026), https://qemica-lab.com.

BibTeX

@software{qemica,
  author  = {{Qemica Lab}},
  title   = {Qemica: a computational chemistry workbench},
  year    = {2026},
  version = {0.2.1},
  url     = {https://qemica-lab.com}
}
Also cite the engines that did the physics for your calculation — PySCF for classical electronic structure, and (when used) OpenFermion, geomeTRIC, RDKit, or MACE. Each result's provenance lists the exact component versions so your methods section can name them precisely.