LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. - Ryky Nelson; Christina Ertural; Janine George; Volker L. Deringer; Geoffroy Hautier; Richard Dronskowski (J. Comput. Chem., 2020)

SynCoTrain: A Dual Classifier PU-learning Framework for Synthesizability Prediction. - Sasan Amariamir; Janine George; Philipp Benner (CoRR, 2024)

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)

LobsterPy: A package to automatically analyze LOBSTER runs. - Aakash Ashok Naik; Katharina Ueltzen; Christina Ertural; Adam J. Jackson; Janine George (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)

A Python workflow definition for computational materials design. - Jan Janssen; Janine George; Julian Geiger; Marnik Bercx; Xing Wang; Christina Ertural; Jörg Schaarschmidt; Alex M. Ganose; Giovanni Pizzi; Tilmann Hickel; Jörg Neugebauer (CoRR, 2025)