{"id":18209,"date":"2024-01-02T09:56:54","date_gmt":"2024-01-02T01:56:54","guid":{"rendered":"https:\/\/www.nikyang.com\/?p=18209"},"modified":"2024-01-02T10:00:01","modified_gmt":"2024-01-02T02:00:01","slug":"chemspeed-aurora-battery-solution","status":"publish","type":"post","link":"https:\/\/www.nikyang.com\/news\/chemspeed-aurora-battery-solution\/","title":{"rendered":"Aurora\u7535\u6c60\u673a\u5668\u4eba\uff1a\u65b0\u80fd\u6e90\u7814\u53d1\u660e\u65e5\u4e4b\u661f\uff01"},"content":{"rendered":"\n

\u968f\u7740\u793e\u4f1a\u7ecf\u6d4e\u7684\u53d1\u5c55\u53d8\u5316\uff0c\u4e16\u754c\u80fd\u6e90\u7ed3\u6784\u53d1\u751f\u4e86\u6df1\u523b\u53d8\u5316\u3002\u65b0\u80fd\u6e90\u6b63\u8fce\u6765\u7206\u53d1\u5f0f\u589e\u957f\uff0c\u65b0\u80fd\u6e90\u8f66\u3001\u52a8\u529b\u7535\u6c60\u7b49\u9886\u57df\u7684\u5e02\u573a\u89c4\u6a21\u6301\u7eed\u7ffb\u500d\u589e\u957f\uff0c\u4e5f\u6210\u4e3a\u52a9\u529b\u4f4e\u78b3\u73af\u4fdd\u4e8b\u4e1a\u7684\u5173\u952e\u529b\u91cf\u3002\u9762\u5bf9\u65b0\u80fd\u6e90\u884c\u4e1a\u5927\u53d1\u5c55\uff0c\u52a9\u63a8\u884c\u4e1a\u7684\u6280\u672f\u8fdb\u6b65\u3001\u7814\u53d1\u521b\u65b0\uff0c\u53ef\u8c13\u8feb\u5728\u7709\u776b\u3002<\/p>\n\n\n\n

\u4e8b\u5b9e\u4e0a\uff0c\u5728\u7535\u6c60\u7814\u7a76\u548c\u521b\u65b0\u5468\u671f\u4e2d\uff0c\u5f88\u591a\u4efb\u52a1\u5374\u4ecd\u8981\u4f9d\u9760\u4eba\u529b\uff0c\u53ea\u6709\u5f88\u5c0f\u4e00\u90e8\u5206\u53ef\u901a\u8fc7\u81ea\u52a8\u5316\u5b8c\u6210\u3002\u4e2d\u95f4\u5de5\u827a\u6b65\u9aa4\u4f9d\u8d56\u4e8e\u4eba\u529b\u7684\u540c\u65f6\uff0c\u5b9e\u9a8c\u7ed3\u679c\u66f4\u662f\u4e0e\u7814\u7a76\u4eba\u5458\u7684\u6280\u80fd\u6c34\u5e73\u606f\u606f\u76f8\u5173\uff0c\u4f7f\u53ef\u91cd\u590d\u6027\u5927\u6253\u6298\u6263\u3002\u5b9e\u9a8c\u5ba4\u81ea\u52a8\u5316\u65b9\u6848\u7684\u4e13\u5bb6\u745e\u58eb Chemspeed \u516c\u53f8\u548c\u745e\u58eb\u8054\u90a6\u6750\u6599\u79d1\u5b66\u4e0e\u6280\u672f\u7814\u7a76\u9662\uff08EMPA\uff09\u4fbf\u4ee5\u6539\u9769\u7535\u6c60\u7814\u53d1\u6548\u7387\u4e3a\u76ee\u6807\uff0c\u5f00\u53d1\u4e86 Aurora \u7535\u6c60\u673a\u5668\u4eba\u3002<\/p>\n\n\n\n

\"\"<\/figure>\n\n\n\n

\u89e3\u653e\u4eba\u529b\uff0c\u7cbe\u51c6\u6267\u884c\u91cd\u590d\u6027\u4efb\u52a1<\/span><\/strong><\/p>\n\n\n\n

EMPA \u7684\u5b9e\u9a8c\u5ba4\u8d1f\u8d23\u4eba Corsin Battaglia \u5f3a\u8c03\uff1a\u201c\u4e16\u754c\u4e9f\u9700\u65b0\u578b\u80fd\u6e90\u5b58\u50a8\u6280\u672f\uff0c\u4f46\u53d1\u5c55\u5168\u65b0\u7684\u7535\u6c60\u6982\u5ff5\u3001\u63a2\u8ba8\u5176\u6f5c\u80fd\u5341\u5206\u8017\u65f6\uff0cEMPA \u5e0c\u671b\u80fd\u52a0\u901f\u8fd9\u4e2a\u8fc7\u7a0b\uff0cAurora \u673a\u5668\u4eba\u5e73\u53f0\u5e94\u8fd0\u800c\u751f\uff0c\u5b83\u5c06\u63a5\u7ba1\u5b9e\u9a8c\u5ba4\u7535\u6c60\u7684\u5168\u81ea\u52a8\u5316\u7814\u53d1\u8fc7\u7a0b\uff0c\u5e76\u5728\u672a\u6765\u5168\u9762\u5b9e\u73b0\u7535\u6c60\u81ea\u4e3b\u6750\u6599\u7684\u9009\u62e9\u3001\u7ec4\u88c5\u4e0e\u5206\u6790\u7b49\u8fc7\u7a0b\u3002\u201dAurora \u5e73\u53f0\u901a\u8fc7\u5c06\u591a\u4e2a\u6a21\u5757\u7ec4\u5408\uff0c\u5f62\u6210\u81ea\u52a8\u5316\u7684\u95ed\u73af\u5e8f\u5217\uff0c\u6269\u5c55\u5b9e\u9a8c\u5ba4\u81ea\u52a8\u5316\uff0c\u4f7f\u5b9e\u9a8c\u4eba\u5458\u4ece\u91cd\u590d\u6027\u4efb\u52a1\u4e2d\u89e3\u653e\u51fa\u6765\uff0c\u4e3a\u521b\u9020\u6027\u4efb\u52a1\u63d0\u4f9b\u66f4\u591a\u65f6\u95f4\u3002<\/strong><\/p>\n\n\n\n


Aurora \u7535\u6c60\u673a\u5668\u4eba\u96c6\u6210\u4e8e\u6c29\u6c14\u624b\u5957\u7bb1\u4e2d\uff0c\u6bcf\u6279\u6b21\u53ef\u7ec4\u88c5 32 \u4e2a\u7ebd\u6263\u7535\u6c60\uff0c\u5e76\u914d\u6709\u5355\u72ec\u7684\u9884\u5236\u7535\u6781\u7ec4\u3002\u9633\u6781\/\u9634\u6781\u5bb9\u91cf\u5e73\u8861\u5bf9\u4e8e\u7535\u6c60\u5faa\u73af\u7a33\u5b9a\u6027\u81f3\u5173\u91cd\u8981\uff0c Aurora \u5e73\u53f0\u5b9e\u73b0\u4e86\u5168\u81ea\u52a8\u5316\u79f0\u91cf\u8fc7\u7a0b\uff0c\u4f7f\u5176\u7cbe\u5ea6\u53ef\u8fbe\u5230 0.01 mg\u3002Aurora \u5e73\u53f0\u53ef\u7528\u591a\u8fbe 8 \u79cd\u4e0d\u540c\u7684\u6db2\u4f53\u6210\u5206\u914d\u5236\u591a\u8fbe 32 \u79cd\u4e0d\u540c\u7684\u6db2\u4f53\u7535\u89e3\u8d28\uff0c\u4f7f\u7528 Chemspeed \u4e13\u5229\u7684\u9876\u7f6e\u5f0f\u79f0\u91cd\u52a0\u6837\u6280\u672f\uff0c\u4ee5 1 mg \u7684\u7cbe\u5ea6\u5bf9\u9ad8\u7c98\u5ea6\u6db2\u4f53\u8fdb\u884c\u8d28\u91cf\u5206\u914d\uff0c\u907f\u514d\u5bb9\u6613\u51fa\u9519\u7684\u57fa\u4e8e\u5bc6\u5ea6\u548c\u4f53\u79ef\u7684\u5206\u914d\u8fc7\u7a0b\u3002<\/p>\n\n\n\n

\u7136\u540e\uff0c\u7535\u6c60\u7ec4\u5728 128 \u901a\u9053\u6052\u7535\u4f4d\u4eea\u4e0a\u8fdb\u884c\u6027\u80fd\u6d4b\u8bd5\uff0c\u8be5\u6052\u7535\u4f4d\u4eea\u4e0e Aurora \u9879\u76ee\u4e2d\u5f00\u53d1\u7684\u5f00\u6e90 Python \u5305\u8fde\u63a5\u3002\u5bf9\u4e8e\u5177\u6709\u56fd\u9645\u7ade\u4e89\u529b\u7684\u7535\u6c60\u7814\u53d1\uff0c\u521b\u65b0\u8fc7\u7a0b\u4e2d\u8017\u65f6\u4e14\u5bb9\u6613\u51fa\u9519\u7684\u6b65\u9aa4\u5b9e\u73b0\u4e86\u81ea\u52a8\u5316\uff0c\u8fd9\u4e0d\u4ec5\u80fd\u5feb\u901f\u6d4b\u8bd5\u79d1\u5b66\u5047\u8bbe\u548c\u9a8c\u8bc1\u7269\u7406\u6a21\u578b\uff0c\u66f4\u80fd\u51cf\u5c11\u4e86\u4eba\u4e3a\u9519\u8bef\u3001\u63d0\u9ad8\u53ef\u91cd\u590d\u6027\u3002<\/strong><\/p>\n\n\n\n

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\u5b9e\u73b0\u4e86\u5168\u81ea\u52a8\u5316\u540e\uff0c\u6570\u5b57\u5316\u6218\u7565\u624d\u662f\u7814\u53d1\u6280\u672f\u53d1\u5c55\u7684\u91cd\u4e2d\u4e4b\u91cd\u3002EMPA \u7684\u7814\u7a76\u5458 Enea Svaluto-Ferro \u6b63\u5728\u201c\u57f9\u8bad\u201dAurora\uff0c\u4ed6\u8868\u793a\uff1a\u201c\u5f53\u673a\u5668\u4eba\u4ee5\u6052\u5b9a\u7684\u7cbe\u5ea6\u79f0\u91cd\u3001\u8ba1\u91cf\u548c\u7ec4\u88c5\u5404\u4e2a\u7535\u6c60\u7ec4\u4ef6\uff0c\u7cbe\u786e\u5730\u542f\u52a8\u548c\u5b8c\u6210\u5145\u7535\u5468\u671f\u5e76\u6267\u884c\u5176\u4ed6\u91cd\u590d\u6b65\u9aa4\u65f6\uff0c\u7814\u7a76\u4eba\u5458\u53ef\u4ee5\u4f7f\u7528\u751f\u6210\u7684\u6570\u636e\u6765\u63a8\u52a8\u521b\u65b0\u8fc7\u7a0b\u5411\u524d\u53d1\u5c55\u3002\u201d<\/p>\n\n\n\n

\"\"
Empa \u7814\u7a76\u5458 Enea Svaluto-Ferro \u4e0e\u7535\u6c60\u673a\u5668\u4eba Aurora \u5408\u4f5c\uff1b\u672a\u6765\u65b0\u7535\u6c60\u7684\u5f00\u53d1\u65f6\u95f4\u5e94\u8be5\u4f1a\u5927\u5927\u7f29\u77ed
\u00a0\u56fe\u7247\u6765\u6e90\uff1aEmpa<\/sup><\/figcaption><\/figure>\n\n\n\n

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\u6b64\u5916\uff0cAurora \u5e73\u53f0\u4e0e\u5f00\u6e90\u7684\u6570\u636e\u7ba1\u7406\u7cfb\u7edf AiiDA \u8fde\u7ed3\uff0c\u662f\u7b2c\u4e00\u4e2a\u4e0e\u73b0\u6709 AiiDA \u7cfb\u7edf\u8026\u5408\u8054\u7528\u7684\u673a\u5668\u4eba\u5e73\u53f0\uff0c\u6570\u636e\u6700\u7ec8\u5c06\u4f20\u8f93\u81f3\u82cf\u9ece\u4e16\u8054\u90a6\u7406\u5de5\u5b66\u9662\u6b63\u5728\u5f00\u53d1\u7684\u6570\u636e\u7ba1\u7406\u7cfb\u7edf openBIS\uff0c\u5bf9\u4e8e\u7535\u6c60\u7814\u7a76\u6765\u8bf4\uff0c\u8fd9\u610f\u5473\u7740\u7814\u53d1\u4eba\u5458\u53ef\u4ee5\u6709\u6548\u5730\u76d1\u63a7\u548c\u8bc4\u4f30\u7535\u6c60\u5f00\u53d1\u548c\u5236\u9020\u8fc7\u7a0b\u4e2d\u7684\u4f17\u591a\u6d41\u7a0b\u6b65\u9aa4\uff0c\u5e76\u4e14\u53ef\u4ee5\u968f\u65f6\u8ffd\u6eaf\u6570\u636e\u6765\u6e90\u3002<\/strong><\/p>\n\n\n\n

EMPA \u7684\u5b9e\u9a8c\u5ba4\u8d1f\u8d23\u4eba Corsin Battaglia \u8868\u793a\uff1a\u201c\u8fd9\u5c06\u4f7f\u521b\u65b0\u8fdb\u7a0b\u8fdb\u4e00\u6b65\u52a0\u901f\uff0c\u5e76\u4e3a\u5de5\u4e1a 4.0 \u63d0\u4f9b\u7814\u53d1\u9886\u57df\u5168\u9762\u7684\u6570\u5b57\u5316\u6218\u7565\u3002\u201dAurora \u73b0\u5df2\u6210\u4e3a\u6b27\u6d32\u7814\u7a76\u8ba1\u5212 Battery 2030+ \u7684\u4e00\u90e8\u5206\uff0c\u5e76\u83b7\u5f97\u4e86\u6b27\u76df\u8d85\u8fc7 1.5 \u4ebf\u6b27\u5143\u7684\u8d44\u52a9\uff1b\u540c\u65f6\u88ab\u7eb3\u5165\u82cf\u9ece\u4e16\u8054\u90a6\u7406\u5de5\u5b66\u9662\uff08ETH\uff09\u8463\u4e8b\u4f1a\u201c\u5f00\u653e\u7814\u7a76\u6570\u636e\u201d\uff08Open Research Data\uff09\u8ba1\u5212\u7684\u4e00\u73af\uff0c\u7531\u6b64\u4fc3\u8fdb\u7814\u53d1\u6570\u636e\u7684\u6570\u5b57\u5316\u53ca\u6570\u636e\u5171\u4eab\u3002<\/p>\n\n\n\n

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\u81ea\u4e3b\u521b\u65b0\uff0c\u63a2\u7d22\u672a\u6765\u80fd\u6e90\u5f62\u6001<\/span><\/strong><\/p>\n\n\n\n

\u7531\u4e8e Aurora \u5e73\u53f0\u53ef\u4ee5\u72ec\u7acb\u4e8e\u6750\u6599\u3001\u7535\u6c60\u5316\u5b66\u548c\u53d1\u7535\u800c\u4f7f\u7528\uff0c\u56e0\u6b64\u5b83\u4e0d\u4ec5\u53ef\u4ee5\u7528\u4e8e\u6539\u8fdb\u9502\u79bb\u5b50\u7535\u6c60\uff0c\u8fd8\u53ef\u4ee5\u5728\u672a\u6765\u5f00\u53d1\u66ff\u4ee3\u94a0\u79bb\u5b50\u7535\u6c60\u6216\u5177\u6709\u81ea\u4fee\u590d\u673a\u5236\u7684\u7535\u6c60<\/strong>\uff0c\u201cAurora\u5e73\u53f0\u4e0e\u5316\u5b66\u65e0\u76f8\u5173\uff08chemistry-agnostic\uff09\uff0c\u56e0\u6b64\u53ef\u4ee5\u5c06\u5b9e\u9a8c\u5ba4\u7684\u539f\u578b\uff08\u4f8b\u5982\u76d0\u6c34\u7535\u6c60\u6216\u56fa\u6001\u7535\u6c60\uff09\u66f4\u9ad8\u6548\u3001\u66f4\u5feb\u901f\u5730\u63a8\u5411\u5e02\u573a\u3002\u201d Corsin Battaglia \u8bf4\u9053\u3002<\/p>\n\n\n\n

\"\"
Aurora\u5728\u4fdd\u62a4\u6027\u6c14\u6c1b\u4e0b\u8fd0\u884c\uff1a\u5728\u624b\u5957\u7bb1\u4e2d\uff0cBenjamin Kunz \u548c Enea Svaluto-Ferro\uff08\u53f3\uff09\u63a7\u5236\u5de5\u827a\u6b65\u9aa4\u3002
\u56fe\u7247\u6765\u6e90\uff1aEmpa<\/sup><\/figcaption><\/figure>\n\n\n\n

\u672a\u6765\uff0cAurora \u8fd8\u5c06\u5b66\u4f1a\u81ea\u4e3b\u5de5\u4f5c\u3002\u901a\u8fc7\u673a\u5668\u5b66\u4e60\uff0cAurora AI \u53ef\u4ee5\u521b\u5efa\u6570\u5b66\u6a21\u578b\uff0c\u5e76\u51b3\u5b9a\u4e0b\u4e00\u6b65\u5e94\u8fdb\u884c\u54ea\u4e9b\u5b9e\u9a8c\uff0c\u4ee5\u53ca\u54ea\u4e9b\u6750\u6599\u548c\u7ec4\u4ef6\u9002\u7528\u4e8e\u6240\u9700\u7684\u7535\u6c60\u5e94\u7528\uff0c<\/strong>\u5e2e\u52a9\u627e\u5bfb\u5ec9\u4ef7\u3001\u6613\u83b7\u5f97\u4e14\u4e0d\u5b58\u5728\u4efb\u4f55\u6280\u672f\u7f3a\u9677\u7684\u65b0\u578b\u7535\u6c60\u6750\u6599\u3002<\/p>\n\n\n\n

\u6d82\u6599\u4ea7\u54c1\u88ab\u5e7f\u6cdb\u5730\u5e94\u7528\u4e8e\u5efa\u7b51\u3001\u8f7b\u5de5\u4e1a\u7b49\u591a\u4e2a\u9886\u57df\uff0c\u968f\u7740\u6211\u56fd\u7684\u793e\u4f1a\u7ecf\u6d4e\u4e0d\u65ad\u53d1\u5c55\uff0c\u4ee5\u53ca\u73af\u4fdd\u653f\u7b56\u6301\u7eed\u51fa\u53f0\uff0c\u5bf9\u6d82\u6599\u4ea7\u54c1\u7684\u8981\u6c42\u6301\u7eed\u63d0\u9ad8\u3002\u6d82\u6599\u4ea7\u54c1\u6781\u9700\u8c03\u6574\u53ca\u5347\u7ea7\uff0c\u4ee5\u5e94\u5bf9\u65e5\u76ca\u53d8\u5316\u7684\u5e02\u573a\u9700\u6c42\u3002\u529b\u626c\u5180\u671b\u80fd\u4e3a\u4f01\u4e1a\u63d0\u4f9b\u6781\u5177\u7ade\u4e89\u529b\u7684\u4ea7\u54c1\u548c\u670d\u52a1\uff0c\u4e3a\u5ba2\u6237\u63d0\u9ad8\u7814\u53d1\u6548\u80fd\uff0c\u4f5c\u4e3a\u7814\u53d1\u7684\u63a8\u52a8\u8005\uff0c\u4e3a\u4f01\u4e1a\u6ce8\u5165\u6e90\u6e90\u4e0d\u65ad\u7684\u521b\u65b0\u529b\u91cf\uff0c\u8fce\u63a5\u5e02\u573a\u7684\u6311\u6218\u3002<\/p>\n\n\n\n


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\u60f3\u4e86\u89e3\u66f4\u591a\u65b9\u6848\u8be6\u60c5\uff0c
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\u66f4\u591a\u6587\u7ae0<\/h2>\n\n\n\n
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