autoCAS: A Program for Fully Automated Multiconfigurational Calculations. - Christopher J. Stein; Markus Reiher (J. Comput. Chem., 2019)

Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". - Jan P. Unsleber; Hongbin Liu; Leopold Talirz; Thomas Weymuth; Maximilian Mörchen; Adam Grofe; Dave Wecker; Christopher J. Stein; Ajay Panyala; Bo Peng; Karol Kowalski; Matthias Troyer; et al. (Zenodo, 2022)

Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". - Jan P. Unsleber; Hongbin Liu; Leopold Talirz; Thomas Weymuth; Maximilian Mörchen; Adam Grofe; Dave Wecker; Christopher J. Stein; Ajay Panyala; Bo Peng; Karol Kowalski; Matthias Troyer; et al. (Zenodo, 2023)

Spin parameter optimization for spin-polarized extended tight-binding methods. - Siyavash Moradi; Rebecca Tomann; Josie Hendrix; Martin Head-Gordon; Christopher J. Stein (J. Comput. Chem., 2024)