Scientific AI in materials science: a path to a sustainable and scalable paradigm. - Brian DeCost; Jason Hattrick-Simpers; Zachary Trautt; Aaron Gilad Kusne; Eva Campo; Martin Green (Mach. Learn. Sci. Technol., 2020)

Accurate predictions of keyhole depths using machine learning-aided simulations. - Jiahui Zhang; Runbo Jiang; Kangming Li; Pengyu Chen; Xiao Shang; Zhiying Liu; Jason Hattrick-Simpers; Brian J. Simonds; Qianglong Wei; Hongze Wang; Tao Sun; Anthony D. Rollett; et al. (CoRR, 2024)

Evaluating the Performance and Robustness of LLMs in Materials Science Q&A and Property Predictions. - Hongchen Wang; Kangming Li; Scott Ramsay; Yao Fehlis; Edward Kim; Jason Hattrick-Simpers (CoRR, 2024)

LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction. - Andre Niyongabo Rubungo; Kangming Li; Jason Hattrick-Simpers; Adji Bousso Dieng (CoRR, 2024)

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

AutoEIS: Automated equivalent circuit modeling from electrochemical impedance spectroscopy data using statistical machine learning. - Mohammad Amin Sadeghi; Runze Zhang; Jason Hattrick-Simpers (J. Open Source Softw., 2025)

Exploring the Frontiers of kNN Noisy Feature Detection and Recovery for Self-Driving Labs. - Qiuyu Shi; Kangming Li; Yao Fehlis; Daniel Persaud; Robert Black; Jason Hattrick-Simpers (CoRR, 2025)

Human-AI Synergy in Adaptive Active Learning for Continuous Lithium Carbonate Crystallization Optimization. - Shayan S. Mousavi Masouleh; Corey A. Sanz; Ryan P. Jansonius; Cara Cronin; Jason E. Hein; Jason Hattrick-Simpers (CoRR, 2025)

Developing and Validating a High-Throughput Robotic System for the Accelerated Development of Porous Membranes. - Hongchen Wang; Sima Zeinali Danalou; Jiahao Zhu; Kenneth Sulimro; Chaewon Lim; Smita Basak; Aimee Tai; Usan Siriwardana; Jason Hattrick-Simpers; Jay Werber (CoRR, 2025)