The design and discovery of materials with desired functional properties is pivotal to the scientific mission of the United States Department of Energy (US-DOE) [1], which includes within its portfolio several important applications for the national economy and security. These applications range from: renewable energy (e.g., solar cells, organic photovoltaics, and organic light-emitting diodes), energy storage (e.g., batteries and supercapacitors), and carbon capture and sequestration, to synthesis of manufacturing of new materials (e.g., drugs, or materials with desired conductivity, thermal stability, and catalytic activity), and nuclear energy (e.g., highly performant nuclear fuels and materials with improved nuclear shielding properties).

中文翻译：

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使用原子尺度信息进行材料设计和发现的人工智能[工业和政府活动]

设计和发现具有所需功能特性的材料对于美国能源部 (US-DOE) 的科学使命至关重要 [1]，其中包括对国民经济和安全的几个重要应用。这些应用范围包括：可再生能源（例如，太阳能电池、有机光伏发电和有机发光二极管）、能源存储（例如，电池和超级电容器）、碳捕获和封存，以及新材料制造的合成（例如，药物或具有所需导电性、热稳定性和催化活性的材料）和核能（例如高性能核燃料和具有改进的核屏蔽性能的材料）。