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\"\"<\/p>\n

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5\u3001\u9ad8\u901a\u91cf\u8bca\u65ad<\/strong>
\n \u8868\u5f81\u5de5\u5177\u4e5f\u5f97\u76ca\u4e8e\u9ad8\u6027\u80fd\u8ba1\u7b97\u3001\u81ea\u52a8\u5316\u548c\u673a\u5668\u5b66\u4e60\uff0c\u4f8b\u5982\uff0c\u9ad8\u5206\u8fa8X\u5c04\u7ebf\u5149\u7535\u5b50\u80fd\u8c31\u6d4b\u8bd5\u6240\u82b1\u8d39\u7684\u65f6\u95f4\u8f83\u4e4b\u524d\u5f97\u5230\u6781\u5927\u6539\u5584\u3002\u5f53\u524d\uff0c\u5148\u8fdb\u7684\u6570\u636e\u7edf\u8ba1\u548c\u673a\u5668\u5b66\u4e60\u6709\u671b\u8fdb\u4e00\u6b65\u52a0\u5feb\u5b66\u4e60\u7684\u901f\u7387\uff0c\u73b0\u5b58\u7684\u4e00\u4e9b\u8bbe\u5907\u53ef\u4ee5\u83b7\u53d6\u4e00\u79cd\u6837\u54c1\u7684\u591a\u4e2aXPS\u56fe\u8c31\uff0c\u800c\u4e14\u53ef\u4ee5\u8fdb\u884c\u5927\u6570\u636e\u96c6\u7684\u81ea\u52a8\u5c04\u9891\u5206\u6790\uff0c\u53ef\u4ee5\u4f30\u8ba1\u4e00\u4e9b\u5728\u6210\u5206\u56fe\u4e0a\u672a\u77e5\u7684\u6750\u6599\u3002\u5176\u4ed6\u4e00\u4e9b\u79d1\u7814\u4eba\u5458\u91c7\u7528\u8d1d\u53f6\u65af\u63a8\u65ad\u7ed3\u5408\u65e0\u635f\u68c0\u6d4b\u88c5\u7f6e\u53ef\u4ee5\u540c\u65f6\u8bca\u65ad\u51fa\u591a\u79cd\u5757\u4f53\u548c\u754c\u9762\u6027\u8d28\uff0c\u5176\u53ef\u8fbe\u5230\u7684\u8bca\u65ad\u901f\u7387\u5feb\u4e8e\u4f20\u7edf\u8868\u5f81\u8bbe\u5907\u768410\u500d\u751a\u81f3\u66f4\u591a\u3002\u8fd9\u79cd\u53c2\u6570\u4f30\u8ba1\u4e0d\u4ec5\u53ef\u4ee5\u5feb\u901f\u5730\u8fdb\u884c\u6545\u969c\u6392\u9664\uff0c\u800c\u4e14\u8fd8\u53ef\u4ee5\u51c6\u786e\u5730\u4f30\u8ba1\u6750\u6599\u7684\u56fa\u6709\u5c5e\u6027\u4ee5\u53ca\u6700\u7ec8\u53ef\u80fd\u8fbe\u5230\u7684\u6027\u80fd\u3002<\/p>\n

6\u3001\u673a\u5668\u5b66\u4e60<\/strong>
\n \u673a\u5668\u5b66\u4e60\u5305\u542b\u5f88\u591a\u65b9\u6cd5\uff0c\u53ef\u80fd\u5728\u672a\u6765\u7684\u6750\u6599\u5f00\u53d1\u5468\u671f\u4e2d\u626e\u6f14\u4e0d\u540c\u7684\u89d2\u8272\u3002\u7b2c\u4e00\uff0c\u673a\u5668\u5b66\u4e60\u7684\u4e00\u4e2a\u5e38\u89c1\u5e94\u7528\u662f\u9009\u62e9\u6750\u6599\uff0c\u5176\u4e2d\u5b9e\u9a8c\u89c2\u5bdf\u53ef\u4ee5\u7528\u6765\u9884\u6d4b\u672a\u77e5\u5316\u5408\u7269\u53ca\u65b0\u53d1\u73b0\u7684\u6750\u6599\u7684\u65b0\u6027\u8d28\uff1b\u7b2c\u4e8c\uff0c\u673a\u5668\u5b66\u4e60\u5de5\u5177\u53ef\u4ee5\u4ece\u8bca\u65ad\u4e2d\u63d0\u53d6\u66f4\u591a\u66f4\u51c6\u786e\u7684\u4fe1\u606f\uff1b\u7b2c\u4e09\uff0c\u673a\u5668\u5b66\u4e60\u5de5\u5177\u53ef\u4ee5\u901a\u8fc7\u51cf\u5c11\u4eba\u4e3a\u5e72\u9884\u548c\u4f9d\u8d56\u4e8e\u542f\u53d1\u5f0f\u7684\u7a0b\u5ea6\u6765\u5173\u95ed\u8bca\u65ad\u4e0e\u5408\u6210\u4e4b\u95f4\u7684\u81ea\u52a8\u5faa\u73af\uff0c\u5982\u56fe2\u6240\u793a\uff1b\u800c\u8fd9\u4e09\u4e2a\u5e94\u7528\u5747\u5f97\u76ca\u4e8e\u66f4\u591a\u6570\u636e\u7684\u53ef\u7528\u6027\uff0c\u4ee5\u8bad\u7ec3\u548c\u63d0\u9ad8\u8fd9\u4e9b\u8bbe\u5907\u7684\u9884\u6d4b\u80fd\u529b\u3002<\/p>\n

7\u3001\u6784\u60f3\u201c\u786c\u4ef6\u4e91\u201d<\/strong>
\n \u73b0\u5728\uff0c\u6750\u6599\u5408\u6210\u8bbe\u5907\u6b63\u8d8a\u6765\u8d8a\u5177\u6709\u8fdc\u7a0b\u64cd\u4f5c\u6027\u2014\u2014\u80fd\u591f\u4f7f\u79d1\u7814\u4eba\u5458\u4e0d\u7528\u9760\u8fd1\u6c89\u79ef\u8bbe\u5907\u5373\u53ef\u8fdb\u884c\u7814\u7a76\u548c\u64cd\u4f5c\uff0c\u8fd9\u6837\u5e26\u6765\u4e86\u4e24\u79cd\u5f71\u54cd\u6df1\u8fdc\u7684\u673a\u9047\u3002\u5927\u578b\u6602\u8d35\u7684\u5408\u6210\u8bbe\u5907\u53ef\u4ee5\u4e0e\u5927\u89c4\u6a21\u5e76\u884c\u8868\u5f81\u8bbe\u5907\u7ec4\u6210\u672a\u6765\u5b9e\u9a8c\u5ba4\u7684\u5408\u6210\u4e2d\u5fc3\uff0c\u8be5\u4e2d\u5fc3\u7531\u8fdc\u7a0b\u7528\u6237\u548c\u7814\u7a76\u4eba\u5458\u64cd\u4f5c\u5e76\u7531\u73b0\u573a\u4e13\u4e1a\u4eba\u5458\u7ba1\u7406\u3002\u7c7b\u4f3c\u4e8e\u8f6f\u4ef6\u4e91\u7684\u6982\u5ff5\uff0c\u4e00\u4e2a\u4eba\u7684\u8ba1\u7b97\u548c\u6570\u636e\u4ee5\u65e0\u7f1d\u5f62\u5f0f\u50a8\u5b58\u4e8e\u4e16\u754c\u5404\u5730\u7684\u673a\u5668\u4e0a\uff0c\u786c\u4ef6\u4e91\u5c06\u4f7f\u7528\u6237\u4ee5\u65e0\u7f1d\u7684\u5f62\u5f0f\u5728\u56fd\u5185\u6216\u56fd\u9645\u4e0a\u5206\u5e03\u7684\u7f51\u7edc\u6750\u6599\u64cd\u4f5c\u7cfb\u7edf\u4e0a\u8fdb\u884c\u5b58\u50a8\u3001\u6d4b\u91cf\u53ca\u5f00\u5c55\u7814\u7a76\uff08\u901a\u8fc7\u539f\u4f4d\u8868\u5f81\u5de5\u5177\u63d0\u4f9b\u5b9e\u65f6\u53cd\u9988\uff09\u3002\u6240\u4ea7\u751f\u7684\u7b2c\u4e8c\u4e2a\u673a\u9047\u5373\u80fd\u591f\u5728\u516c\u5171\u6216\u79c1\u6709\u4e91\u7684\u8fd9\u4e9b\u7f51\u7edc\u5b9e\u9a8c\u6240\u6536\u96c6\u7684\u6570\u636e\u4e2d\u8fdb\u884c\u5b58\u50a8\u3001\u7ba1\u7406\u3001\u8bbf\u95ee\u3001\u5904\u7406\u548c\u8bca\u65ad\u3002\u8fd9\u5c06\u4ea7\u751f\u4e24\u4e2a\u95ee\u9898\uff1a\uff081\uff09\u901a\u8fc7\u5927\u91cf\u5b9e\u9a8c\u548c\u5b9e\u9a8c\u5e73\u53f0\u6765\u63d0\u9ad8\u6570\u636e\u7684\u5b9e\u7528\u6027\uff0c\u4ee5\u7528\u4e8e\u540e\u671f\u5206\u6790\uff1b\uff082\uff09\u7528\u4e8e\u5206\u6790\u54ea\u4e9b\u4ec0\u4e48\u90fd\u4e0d\u8d77\u4f5c\u7528\u7684\u6570\u636e\uff0c\u8fd9\u5e76\u4e0d\u5bb9\u6613\u83b7\u5f97\u4f46\u5bf9\u5b66\u4e60\u8fc7\u7a0b\u662f\u6709\u5e2e\u52a9\u7684\uff0c\u5e76\u4e14\u5728\u7814\u7a76\u8fc7\u7a0b\u4e2d\u63d0\u9ad8\u96c6\u4f53\u6548\u7387\u65b9\u9762\u90fd\u6709\u7740\u81ea\u5df1\u7684\u4ef7\u503c\u3002<\/p>\n

8\u3001\u52a0\u5feb\u6750\u6599\u5f00\u53d1\u4e0e\u5236\u9020\u7684\u57fa\u7840\u8bbe\u65bd\u6295\u8d44<\/strong>
\n \u56fe2\u4e2d\u6240\u5c55\u793a\u7684\u613f\u666f\u9700\u8981\u6570\u5e74\u6765\u6301\u7eed\u7684\u5f00\u53d1\u8f6f\u4ef6\uff0c\u786c\u4ef6\u548c\u4eba\u529b\u8d44\u6e90\uff0c\u5e76\u4ee5\u6d4b\u8bd5\u5e73\u53f0\u7684\u65b9\u5f0f\u8fde\u63a5\u8fd9\u4e9b\u65b0\u529f\u80fd\u3002\u8fd9\u4e9b\u4e3b\u8981\u6d89\u53ca\u5230\u4ee5\u4e0b\u6295\u8d44\uff1a\u5e94\u7528\u578b\u673a\u5668\u5b66\u4e60\uff0c\u6570\u636e\u683c\u5f0f\u548c\u5b58\u50a8\u6807\u51c6\uff0c\u6570\u636e\u7ba1\u7406\u5de5\u5177\uff0c\u57fa\u7840\u8bbe\u65bd\u7b49\u9886\u57df\u3002<\/p>\n

9 \u3001\u52a0\u5feb\u6750\u6599\u5f00\u53d1\u4e0e\u5236\u9020\u7684\u4eba\u529b\u8d44\u672c\u6295\u8d44<\/strong>
\n \u4eba\u529b\u8d44\u672c\u7684\u6295\u8d44\u9700\u8981\u51c6\u5907\u7814\u7a76\u4eba\u5458\u5229\u7528\u8fd9\u4e9b\u65b0\u5de5\u5177\u3002\u4ece \u201c\u6570\u636e\u532e\u4e4f\u201d\u5230\u201c\u6570\u636e\u4e30\u5bcc\u201d\u7684\u8fc7\u6e21\u4f1a\u5f15\u53d1\u6211\u4eec\u7684\u601d\u7ef4\uff0c\u6fc0\u52b1\u65b9\u5f0f\u4ee5\u53ca\u6559\u6388\u65b9\u9762\u7684\u8f6c\u53d8\u3002<\/p>\n

\u3010\u7ed3\u8bba\u3011<\/strong><\/p>\n

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\u6587\u732e\u8fde\u63a5\uff1a Accelerating Materials Development via Automation, Machine Learning, and High-Performance Computing<\/a><\/strong>\uff08Joule, 2018, DOI: 10.1016\/j.joule.2018.05.009\uff09<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\u675c\u6210\u6c5f\u7f16\u8bd1\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

\u6750\u6599\u725b\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n

\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1tougao@cailiaoren.com.<\/p>\n

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