Simulation-based inference with approximately correct parameters via maximum entropy. - Rainier Barrett; Mehrad Ansari; Gourab Ghoshal; Andrew D. White (Mach. Learn. Sci. Technol., 2022)

Agent-based Learning of Materials Datasets from Scientific Literature. - Mehrad Ansari; Seyed Mohamad Moosavi (CoRR, 2023)

Serverless Prediction of Peptide Properties with Recurrent Neural Networks. - Mehrad Ansari; Andrew D. White (J. Chem. Inf. Model., 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)

Kernel Learning Assisted Synthesis Condition Exploration for Ternary Spinel. - Yutong Liu; Mehrad Ansari; Robert Black; Jason Hattrick-Simpers (CoRR, 2025)

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)