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\u201c\u4f7f\u7528\u8ba1\u7b97\u6a21\u578b\u548c\u673a\u5668\u5b66\u4e60\u8fdb\u884c\u6750\u6599\u9884\u6d4b\u4e0e\u8bbe\u8ba1\u201d\u8fd9\u4e00\u7406\u5ff5\u6700\u65e9\u662f\u7531\u52a0\u5dde\u5927\u5b66\u4f2f\u514b\u5229\u5206\u6821\u7684\u6750\u6599\u79d1\u5b66\u5bb6Gerbrand Ceder\u6559\u6388\u63d0\u51fa\u3002Ceder\u6559\u6388\u6307\u51fa\uff0c\u53ef\u4ee5\u501f\u9274\u9057\u4f20\u79d1\u5b66\u7684\u65b9\u6cd5\uff0c\u5c31\u50cf DNA \u78b1\u57fa\u5bf9\u7f16\u7801\u86cb\u767d\u8d28\u7b49\u5404\u79cd\u751f\u7269\u6750\u6599\u4e00\u6837\uff0c\u7528\u201c\u6750\u6599\u57fa\u56e0\u7ec4\u201d\u7f16\u7801\u5404\u79cd\u5316\u5408\u7269\uff0c\u800c\u5b9e\u73b0\u8fd9\u4e00\u201c\u7f16\u7801\u201d\u7684\u5de5\u5177\u4fbf\u662f\u8ba1\u7b97\u673a\u7684\u6570\u636e\u6316\u6398\u53ca\u673a\u5668\u5b66\u4e60\u7b97\u6cd5\u7b49\u3002\u8fd9\u4e00\u7406\u5ff5\u53d7\u5230\u4e86\u5e7f\u6cdb\u7684\u5173\u6ce8\u3002\u968f\u540e\uff0c2011\u5e74\u590f\u5929\uff0c\u5965\u5df4\u9a6c\u653f\u5e9c\u5ba3\u5e03\u4e86\u201c\u6750\u6599\u57fa\u56e0\u7ec4\u8ba1\u5212\u201d(Materials Genome Initiative,\u7b80\u79f0MGI)\uff0c\u8be5\u8ba1\u5212\u5728\u6750\u6599\u79d1\u5b66\u4e2d\u6380\u8d77\u4e86\u4e00\u573a\u9769\u547d\u3002\u76ee\u524d\uff0c\u673a\u5668\u5b66\u4e60\u5728\u6750\u6599\u79d1\u5b66\u4e2d\u5df2\u7ecf\u5f97\u5230\u4e86\u4e00\u4e9b\u8fdb\u5c55\uff0c\u5982\u8fdb\u884c\u6750\u6599\u7ed3\u6784\u3001\u76f8\u53d8\u53ca\u7f3a\u9677\u7684\u5206\u6790[4-6]\u3001\u8f85\u52a9\u6750\u6599\u6d4b\u8bd5\u7684\u8868\u5f81[7-9]\u7b49\u3002<\/p>\n

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2018\u5e74Zong[5]\u7b49\u4eba\u91c7\u7528\u968f\u673a\u68ee\u6797\u7b97\u6cd5\u4ee5\u53ca\u56de\u5f52\u6a21\u578b<\/b><\/strong>\uff0c\u6765\u7814\u7a76\u8d85\u5bfc\u4f53\u7684\u4e34\u754c\u6e29\u5ea6\u3002\u9996\u5148\uff0c\u6839\u636eSuperCon\u6570\u636e\u5e93\u4e2d\u4fe1\u606f\uff0c\u5bf9\u8d85\u8fc712,000\u79cd\u5df2\u77e5\u8d85\u5bfc\u4f53\u548c\u5019\u9009\u6750\u6599\u7684\u8d85\u5bfc\u8f6c\u53d8\u6e29\u5ea6\uff08Tc\uff09\u8fdb\u884c\u5efa\u6a21\u3002\u6839\u636eTc\u662f\u9ad8\u4e8e\u8fd8\u662f\u4f4e\u4e8e10K\uff0c\u5c06\u6750\u6599\u5206\u4e3a\u4e24\u7c7b\uff0c\u6784\u5efa\u975e\u53c2\u6570\u968f\u673a\u68ee\u6797\u5206\u7c7b\u6a21\u578b<\/b><\/strong>\u9884\u6d4b\u8d85\u5bfc\u4f53\u7684\u7c7b\u522b\u3002\u968f\u673a\u68ee\u6797\u6a21\u578b\u4ee5\u53ca\u8d85\u5bfc\u6750\u6599Tc\u6563\u70b9\u56fe\u5982\u56fe3-5\u30013-6\u6240\u793a\u3002\u968f\u540e\u5f00\u53d1\u4e86\u56de\u5f52\u6a21\u578b<\/b><\/strong>\u6765\u9884\u6d4b\u94dc\u57fa\u3001\u94c1\u57fa\u548c\u4f4e\u6e29\u8f6c\u53d8\u5316\u5408\u7269\u7b49\u5404\u79cd\u6750\u6599\u7684Tc \u503c\uff0c\u540c\u6837\u53d6\u5f97\u4e86\u8f83\u597d\u7ed3\u679c\uff0c\u5229\u7528AFLOW\u5728\u7ebf\u5b58\u50a8\u5e93\u4e2d\u7684\u6750\u6599\u6570\u636e\uff0c\u4ed6\u4eec\u8fdb\u4e00\u6b65\u63d0\u9ad8\u4e86\u8fd9\u4e9b\u6a21\u578b\u7684\u51c6\u786e\u6027\u3002\u6700\u540e\uff0c\u5c06\u5206\u7c7b\u548c\u56de\u5f52\u6a21\u578b\u7ec4\u5408\u6210\u4e00\u4e2a\u96c6\u6210\u7ba1\u9053\uff0c\u5e94\u7528\u5176\u641c\u7d22\u4e86\u6574\u4e2a\u65e0\u673a\u6676\u4f53\u7ed3\u6784\u6570\u636e\u5e93\u5e76\u9884\u6d4b\u51fa30\u591a\u79cd\u65b0\u7684\u6f5c\u5728\u8d85\u5bfc\u4f53\u3002\u56e0\u6b64\uff0c\u590d\u6742\u7684ML\u7b97\u6cd5\u7684\u5e94\u7528\u5927\u5927\u52a0\u901f\u5bf9\u5019\u9009\u9ad8\u6e29\u8d85\u5bfc\u4f53\u7684\u641c\u7d22\u3002<\/p>\n

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3.2 <\/b><\/strong>\u8f85\u52a9\u6750\u6599\u6d4b\u8bd5\u7684\u8868\u5f81<\/b><\/strong><\/h1>\n

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\u53c2\u8003\u6587\u732e<\/b><\/strong><\/h1>\n

[1] K.T. Butler, D.W. Davies, H. Cartwright, O. Isayev, A. Walsh, Nature, 559 (2018) 547.<\/p>\n

[2] D.-H. Kim, T.J. Kim, X. Wang, M. Kim, Y.-J. Quan, J.W. Oh, S.-H. Min, H. Kim, B. Bhandari, I. Yang, International Journal of Precision Engineering and Manufacturing-Green Technology, 5 (2018) 555-568.<\/p>\n

[3] \u5468\u5b50\u626c, \u7535\u5b50\u4e16\u754c, (2017) 72-73.<\/p>\n

[4] O. Isayev, C. Oses, C. Toher, E. Gossett, S. Curtarolo, A. Tropsha, Nature communications, 8 (2017) 15679.<\/p>\n

[5] V. Stanev, C. Oses, A.G. Kusne, E. Rodriguez, J. Paglione, S. Curtarolo, I. Takeuchi, npj Computational Materials, 4 (2018) 29.<\/p>\n

[6] A. Rovinelli, M.D. Sangid, H. Proudhon, W. Ludwig, npj Computational Materials, 4 (2018) 35.<\/p>\n

[7] J.C. Agar, Y. Cao, B. Naul, S. Pandya, S. van der Walt, A.I. Luo, J.T. Maher, N. Balke, S. Jesse, S.V. Kalinin, Advanced Materials, 30 (2018) 1800701.<\/p>\n

[8] R.K. Vasudevan, N. Laanait, E.M. Ferragut, K. Wang, D.B. Geohegan, K. Xiao, M. Ziatdinov, S. Jesse, O. Dyck, S.V. Kalinin, npj Computational Materials, 4 (2018) 30.<\/p>\n

[9] A. Maksov, O. Dyck, K. Wang, K. Xiao, D.B. Geohegan, B.G. Sumpter, R.K. Vasudevan, S. Jesse, S.V. Kalinin, M. Ziatdinov, npj Computational Materials, 5 (2019) 12.<\/p>\n

[10] Y. Zhang, C. Ling, Npj Computational Materials, 4 (2018) 25.<\/p>\n

[11] H. Trivedi, V.V. Shvartsman, M.S. Medeiros, R.C. Pullar, D.C. Lupascu, npj Computational Materials, 4 (2018) 28.<\/p>\n

\u5f80\u671f\u56de\u987e\uff1a<\/strong><\/p>\n

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\u5355\u6676\u57f9\u517b\u79d8\u8bc0\u2014\u2014\u77e5\u5df1\u77e5\u5f7c\uff0c\u5bf9\u75c7\u4e0b\u65b9\uff0c\u65b9\u80fd\u529f\u6210\uff01<\/a><\/p>\n

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\u4f60\u771f\u7684\u4e86\u89e3\u7535\u50ac\u5316\u4ea7\u6c22\u8fd9\u4e9b\u77e5\u8bc6\u5417\uff1f\u5df2\u4e3a\u4f60\u603b\u7ed3\u597d\uff0c\u5feb\u6233\uff01<\/a><\/p>\n

\u5355\u6676\u591a\u6676\u7684\u7535\u5b50\u884d\u5c04\u82b1\u6837\u4f60\u90fd\u4e86\u89e3\u5417?<\/a><\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u4e13\u680f\u79d1\u6280\u987e\u95ee\u6eaa\u84d3<\/b><\/strong>\u4f9b\u7a3f\uff0c<\/b><\/strong>\u6750\u6599\u4eba\u7f16\u8f91\u90e8Alisa\u7f16\u8f91\u3002<\/p>\n

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