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Journal of Artificial Intelligence for Materials Science
Journal of Artificial Intelligence for Materials Science
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Vol 3, Issue 1 (2024)

Multi-Modal Transformer Architectures for Correlating Processing Conditions to Functional Performance in Perovskite Solar Cells
Ravi Kumar, Neha Sharma & Aniket Deshmukh
Original Research | Open access | 18 January 2024 | Article: 37
Explainable AI for Interpretable Structure–Property Maps in Polymer Blend Systems
Claire Martin, Julien Robert & Sophie Bernard
Original Research | Open access | 18 January 2024 | Article: 38
Reinforcement Learning Assisted Crystal Structure Search under Complex Thermodynamic Constraints‎
Ahmed Mansour & Omar Saeed
Original Research | Open access | 18 January 2024 | Article: 39
Uncertainty-Aware Surrogate Modeling of High-Throughput DFT Data for Rapid Materials Screening
Daniel Fischer, Laura Meier & Thomas Braun
Original Research | Open access | 18 January 2024 | Article: 40
Recent Advances in Machine Learning-Accelerated Materials Discovery — From Descriptors to Autonomous Experiments
Nguyen Thanh Huy, Le Thi Bich & Pham Quang Minh
Review | Open access | 18 January 2024 | Article: 41
Interpreting Materials Data with Artificial Intelligence: From Prediction to Scientific Understanding
Fatima Zahra Amrani, Youssef Benali & Samira El-Haddad
Review | Open access | 18 January 2024 | Article: 42
Interpretability as Scientific Translation: A Conceptual Model for Converting AI Outputs into Materials Mechanisms
Daniel Brooks, Amelia Carter, Ethan Moore & Olivia Grant
Original Research | Open access | 18 January 2024 | Article: 43
A Conceptual Framework for Trustworthy AI Decisions Across the Materials Design Lifecycle
Wei Chen & Li Zhang
Original Research | Open access | 18 January 2024 | Article: 44
From Descriptors to Meaning: A Theory of Representation in Materials-Focused Artificial Intelligence
Hiroshi Tanaka, Yuki Sato, Kenji Mori, Rina Okabe & Takashi Ito
Original Research | Open access | 18 January 2024 | Article: 45
The “Applicability Domain” Problem in Materials AI: A Theoretical Treatment of When Models Should Stay Silent
Lucas Meyer, Anna Schmid & Stefan Braun
Original Research | Open access | 18 January 2024 | Article: 46
What Counts as Knowledge in AI-Driven Materials Science? A Philosophical and Practical Reframing
Maria Hernandez & Carlos Vega
Original Research | Open access | 18 January 2024 | Article: 47
Uncertainty as a Design Signal: A Conceptual View of Confidence, Risk, and Action in Materials AI
Ravi Kumar, Neha Sharma, Aniket Deshmukh & Arjun Nair
Original Research | Open access | 18 January 2024 | Article: 48
Causal Reasoning in Materials Informatics: A Theory-First Roadmap Beyond Correlation
Claire Martin, Julien Robert & Sophie Bernard
Original Research | Open access | 18 January 2024 | Article: 49
The Microstructure–Property “Explanation Gap”: A Conceptual Anatomy of Why AI Explanations Often Fail
Ahmed Mansour, Omar Saeed & Lina Hassan
Original Research | Open access | 18 January 2024 | Article: 50
A Conceptual Theory of Measurement Validity for AI-Generated Materials Properties
Andreas Müller, Stefan Weber, Julia Hoffmann, Lukas Schneider & Tobias Klein
Original Research | Open access | 18 January 2024 | Article: 119
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