Preparing Students for AI-Powered Materials Discovery: A Workflow-Aligned Framework for AI Literacy, Equity, and Scientific Judgment

Abstract

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the limiting factor is no longer only algorithmic capability but also whether students and educators can use AI with domain-specific scientific judgment. This workshop-informed white paper and curriculum-oriented position article argues that AI education for AI-powered materials discovery must move beyond tool access and surface-level interaction with generative AI systems toward a workflow-aligned model of AI literacy. We connect AI literacy to materials-informatics competencies: data provenance, domain-specific featurization, model validation, uncertainty quantification, physics informed reasoning, reproducibility, and experimental feedback. We also emphasize outcome-oriented equity: institutions should evaluate not only access, participation, and engagement, but also whether AI-enabled instruction produces comparable learning gains, transfer of learning, confidence calibration, defined as the alignment with students confidence and the quality or correctness of their work, persistence, and research readiness across student subgroups. The paper synthesizes relevant evidence, identifies risks for learners such as cognitive off-loading and cognitive surrender, and provides a dual-track curriculum model and implementation recommendations such as curriculum guides and an assessment plan for courses, bootcamps, workshops, and program-level reform. The central goal is to prepare students to become better scientists, not merely more efficient users of AI tools.