While AI has demonstrated impressive capabilities in predicting materials properties, achieving transformative scientific impact will require advances beyond current approaches. We believe that the convergence of AI with materials science presents unique opportunities: accelerating advanced quantum mechanical methods and quantum simulations, bridging quantum-to-macroscopic scales through multiscale modeling, and enabling automated discovery through autonomous experimentation and AI agents capable of experimental reasoning and planning. This synergistic integration promises to transform both our fundamental understanding of materials behavior across scales and our ability to discover materials that meet the critical needs of society.

中文翻译：

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材料科学中的 AI：为获得诺贝尔奖的突破指明方向


虽然 AI 在预测材料特性方面表现出了令人印象深刻的能力，但要实现变革性的科学影响还需要超越当前方法的进步。我们相信，人工智能与材料科学的融合带来了独特的机会：加速先进的量子力学方法和量子模拟，通过多尺度建模将量子尺度桥接到宏观尺度，并通过自主实验和能够进行实验推理和规划的人工智能代理实现自动发现。这种协同整合有望改变我们对不同尺度材料行为的基本理解，以及我们发现满足社会关键需求的材料的能力。