matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations. - Matthew L. Evans; Andrew Morris (J. Open Source Softw., 2020)

optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs. - Matthew L. Evans; Casper Andersen; Shyam Dwaraknath; Markus Scheidgen; Ádám Fekete; Donald Winston (J. Open Source Softw., 2021)

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. - Kevin Maik Jablonka; Qianxiang Ai; Alexander Al-Feghali; Shruti Badhwar; Joshua D. Bocarsly; Andres M. Bran; Stefan Bringuier; L. Catherine Brinson; Kamal Choudhary; Defne Circi; Sam Cox; Wibe A. de Jong; et al. (CoRR, 2023)

PASCal Python: A Principal Axis Strain Calculator. - Monthakan Lertkiattrakul; Matthew L. Evans; Matthew J. Cliffe (J. Open Source Softw., 2023)

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry. - Yoel Zimmermann; Adib Bazgir; Zartashia Afzal; Fariha Agbere; Qianxiang Ai; Nawaf Alampara; Alexander Al-Feghali; Mehrad Ansari; Dmytro Antypov; Amro Aswad; Jiaru Bai; Viktoriia Baibakova; et al. (CoRR, 2024)

Jobflow: Computational Workflows Made Simple. - Andrew S. Rosen; Max C. Gallant; Janine George; Janosh Riebesell; Hrushikesh Sahasrabuddhe; Jimmy-Xuan Shen; Mingjian Wen; Matthew L. Evans; Guido Petretto; David Waroquiers; Gian-Marco Rignanese; Kristin A. Persson; et al. (J. Open Source Softw., 2024)

34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery. - Yoel Zimmermann; Adib Bazgir; Alexander Al-Feghali; Mehrad Ansari; Joshua D. Bocarsly; L. Catherine Brinson; Yuan Chiang; Defne Circi; Min-Hsueh Chiu; Nathan Daelman; Matthew L. Evans; Abhijeet Sadashiv Gangan; et al. (CoRR, 2025)