{"id":252636,"date":"2023-07-06T08:16:56","date_gmt":"2023-07-06T00:16:56","guid":{"rendered":"\/\/m.iemloyee.com\/?p=252636"},"modified":"2023-07-06T08:16:56","modified_gmt":"2023-07-06T00:16:56","slug":"%e9%87%8d%e7%a3%85%ef%bc%81%e6%99%b6%e4%bd%93%e7%bb%93%e6%9e%84%e5%a6%82%e4%bd%95%e9%a2%84%e6%b5%8b%ef%bc%9f%e4%bb%8a%e5%a4%a9%e8%bf%99%e7%af%87nature%e7%ae%80%e5%8d%953%e5%bc%a0%e5%9b%be%e7%bb%99","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=252636","title":{"rendered":"\u91cd\u78c5\uff01\u6676\u4f53\u7ed3\u6784\u5982\u4f55\u9884\u6d4b\uff1f\u4eca\u5929\u8fd9\u7bc7Nature\u7b80\u53553\u5f20\u56fe\u7ed9\u51fa\u7b54\u6848\uff01"},"content":{"rendered":"<p><strong><b>\u3010\u5bfc\u8bfb\u3011<\/b><\/strong><\/p>\n<p>\u636e\u7edf\u8ba1\uff0c\u6709\u8d85\u8fc7200000\u79cd\u6676\u4f53\u7ed3\u6784\u5df2\u77e5\u5e76\u4f5c\u4e3a\u539f\u5b50\u4f4d\u7f6e\u5217\u8868\u4fdd\u5b58\u5728\u7cbe\u9009\u6570\u636e\u5e93\u4e2d\u3002\u4e86\u89e3\u7ed3\u6784\u53ef\u4ee5\u51c6\u786e\u9884\u6d4b\u7a33\u5b9a\u6027\uff0c\u5728\u8bb8\u591a\u60c5\u51b5\u4e0b\u8fd8\u53ef\u4ee5\u9884\u6d4b\u7279\u6027\u3002\u7136\u800c\uff0c\u5f53\u8003\u8651\u4ee5\u524d\u672a\u62a5\u544a\u7684\u7ec4\u5408\u7269\u800c\u4e0d\u9650\u5236\u91c7\u7528\u6570\u636e\u5e93\u4e2d\u5305\u542b\u7684\u7ed3\u6784\u65f6\uff0c\u8be5\u7ed3\u6784\u662f\u672a\u77e5\u7684\uff0c\u5fc5\u987b\u5bf9\u5176\u8fdb\u884c\u9884\u6d4b\u4ee5\u5141\u8bb8\u8bc4\u4f30\u5176\u7a33\u5b9a\u6027\u548c\u7279\u6027\u3002\u6676\u4f53\u7ed3\u6784\u9884\u6d4b\uff08CSP\uff09\u7684\u6838\u5fc3\u7279\u5f81\u662f\uff0c\u5b83\u4ece\u6ca1\u6709\u5173\u4e8e\u6676\u80de\u4e2d\u539f\u5b50\u4f4d\u7f6e\u7684\u4fe1\u606f\u5f00\u59cb\uff0c\u65e8\u5728\u627e\u5230\u5b83\u4eec\u7684\u786e\u5207\u6392\u5217\u3002\u4e3a\u4e86\u9884\u6d4b\u70ed\u529b\u5b66\u7a33\u5b9a\u7684\u5316\u5408\u7269\uff0c\u8be2\u95ee\u7ed9\u5b9a\u7ec4\u5408\u7269\u662f\u5426\u5b58\u5728\u6676\u4f53\u7ed3\u6784\uff0c\u5176\u80fd\u91cf\u4f4e\u4e8e\u7ed9\u5b9a\u9608\u503c\u3002\u591a\u5e74\u6765\uff0cCSP\u65b9\u6cd5\u5df2\u7ecf\u4ed8\u51fa\u4e86\u5de8\u5927\u7684\u52aa\u529b\uff0c\u65e8\u5728\u5feb\u901f\u8bc6\u522b\u4f4e\u80fd\u8017\u7ed3\u6784\u3002\u7136\u800c\uff0c\u4e00\u79cd\u5f62\u5f0f\u5316\u7684\u7b97\u6cd5\uff0c\u6b63\u5982\u4e18\u5947-\u56fe\u7075\u8bba\u6587\u6240\u5047\u8bbe\u7684\u90a3\u6837\uff0c\u4e0d\u4ec5\u5e94\u8be5\u80fd\u591f\u8bc6\u522b\u8fd9\u6837\u7684\u7ed3\u6784\uff0c\u800c\u4e14\u5982\u679c\u65e0\u6cd5\u8fbe\u5230\u76ee\u6807\u80fd\u91cf\uff0c\u4e5f\u5e94\u8be5\u63d0\u4f9b\u4e0d\u5b58\u5728\u7684\u8bc1\u636e\u3002\u627e\u5230\u89e3\u51b3\u65b9\u6848\u548c\u8bc1\u660e\u5176\u6700\u4f18\u6027\u4e4b\u95f4\u7684\u533a\u522b\u5728\u6570\u5b66\u4e2d\u5f88\u660e\u663e\uff0c\u5728\u6570\u5b66\u4e2d\uff0c\u731c\u60f3\u7684\u786e\u8ba4\u53ef\u80fd\u9700\u8981\u51e0\u5341\u5e74\u751a\u81f3\u51e0\u4e2a\u4e16\u7eaa\uff0c\u5173\u4e8e\u6700\u5bc6\u96c6\u7684\u7403\u4f53\u586b\u6599\u53ca\u5176\u5728\u9ad8\u7ef4\u4e2d\u7684\u63a8\u5e7f\u76f4\u5230\u6700\u8fd1\u624d\u5efa\u7acb\uff0c\u6355\u6349\u8fd9\u79cd\u533a\u522b\u7684\u6b63\u5f0f\u9648\u8ff0\u53ef\u80fd\u662f\u8ba1\u7b97\u673a\u79d1\u5b66\u4e2d\u6700\u91cd\u8981\u7684\u5f00\u653e\u95ee\u9898\u3002\u5230\u76ee\u524d\u4e3a\u6b62\uff0c\u8fd8\u6ca1\u6709\u7528\u4e8e\u6269\u5c55\u65e0\u673a\u56fa\u4f53CSP\u7684\u65b9\u6cd5\u53ef\u4ee5\u5728\u672a\u77e5\u539f\u5b50\u4f4d\u7f6e\u7684\u8fde\u7eed\u7a7a\u95f4\u4e2d\u63d0\u4f9b\u80fd\u91cf\u6700\u4f18\u6027\u4fdd\u8bc1\u3002\u56e0\u6b64\uff0c\u5c1a\u672a\u63d0\u51fa\u6b64\u95ee\u9898\u7684\u6b63\u5f0f\u7b97\u6cd5\u3002\u7814\u7a76\u4eba\u5458\u5df2\u7ecf\u5f00\u53d1\u51fa\u6709\u6548\u7684\u542f\u53d1\u5f0f\u65b9\u6cd5\u6765\u8bc6\u522b\u52bf\u80fd\u8868\u9762\u7684\u7ed3\u6784\u6700\u5c0f\u503c\uff0c\u867d\u7136\u8fd9\u4e9b\u65b9\u6cd5\u539f\u5219\u4e0a\u901a\u5e38\u53ef\u4ee5\u8bc6\u522b\u6240\u6709\u7ed3\u6784\uff0c\u4f46\u4e0d\u80fd\u4fdd\u8bc1\u627e\u5230\u6700\u4f4e\u7684\u80fd\u91cf\u7ed3\u6784\u3002<\/p>\n<p><strong><b>\u3010\u6210\u679c\u63a0\u5f71\u3011<\/b><\/strong><\/p>\n<p>\u5728\u6b64\uff0c<strong>\u82f1\u56fd\u5229\u7269\u6d66\u5927\u5b66Matthew J. Rosseinsky\u6559\u6388\u548cPaul Spirakis\u6559\u6388<\/strong><strong>\uff08\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u901a\u8fc7\u7ed3\u5408\u7ec4\u5408\u548c\u8fde\u7eed\u4f18\u5316\u6765\u67e5\u627e\u6676\u80de\u5185\u6240\u6709\u672a\u77e5\u539f\u5b50\u4f4d\u7f6e\u7684\u7b97\u6cd5\uff0c\u4ece\u800c\u5728\u80fd\u91cf\u4fdd\u8bc1\u4e0b\u9884\u6d4b\u6676\u4f53\u6750\u6599\u7684\u7ed3\u6784\u3002\u4f5c\u8005\u5c06\u627e\u5230\u6676\u683c\u4e0a\u6240\u6709\u539f\u5b50\u7684\u6700\u4f4e\u80fd\u91cf\u5468\u671f\u5206\u914d\u7684\u7ec4\u5408\u4efb\u52a1\u7f16\u7801\u4e3a\u6574\u6570\u89c4\u5212\u7684\u6570\u5b66\u4f18\u5316\u95ee\u9898\uff0c\u4ece\u800c\u80fd\u591f\u4f7f\u7528\u5b8c\u5584\u7684\u7b97\u6cd5\u4fdd\u8bc1\u8bc6\u522b\u5168\u5c40\u6700\u4f18\u503c\u3002\u968f\u540e\u5bf9\u4ea7\u751f\u7684\u539f\u5b50\u5206\u914d\u8fdb\u884c\u4e00\u6b21\u5c40\u90e8\u6700\u5c0f\u5316\uff0c\u7136\u540e\u76f4\u63a5\u8fbe\u5230\u5173\u952e\u65e0\u673a\u6750\u6599\u7684\u6b63\u786e\u7ed3\u6784\uff0c\u5728\u660e\u786e\u7684\u5047\u8bbe\u4e0b\u8bc1\u660e\u5b83\u4eec\u7684\u80fd\u91cf\u6700\u4f18\u6027\u3002\u8fd9\u79cd\u6676\u4f53\u7ed3\u6784\u9884\u6d4b\u7684\u516c\u5f0f\u5efa\u7acb\u4e86\u4e0e\u7b97\u6cd5\u7406\u8bba\u7684\u8054\u7cfb\uff0c\u5e76\u63d0\u4f9b\u4e86\u89c2\u6d4b\u6216\u9884\u6d4b\u6750\u6599\u7684\u7edd\u5bf9\u80fd\u91cf\u72b6\u6001\u3002\u5b83\u4e3a\u542f\u53d1\u5f0f\u6216\u6570\u636e\u9a71\u52a8\u7684\u7ed3\u6784\u9884\u6d4b\u65b9\u6cd5\u63d0\u4f9b\u4e86\u57fa\u672c\u4e8b\u5b9e\uff0c\u5e76\u4e14\u552f\u4e00\u9002\u7528\u4e8e\u91cf\u5b50\u9000\u706b\u5668\uff0c\u4e3a\u514b\u670d\u539f\u5b50\u6df7\u6dc6\u7684\u7ec4\u5408\u7206\u70b8\u5f00\u8f9f\u4e86\u4e00\u6761\u9053\u8def\u3002<\/p>\n<p>\u76f8\u5173\u7814\u7a76\u6210\u679c\u4ee5\u201c<strong>Optimality guarantees for crystal structure prediction<\/strong>\u201d\u4e3a\u9898\u53d1\u8868\u5728<strong>Nature<\/strong>\u4e0a\u3002<img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-252637\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u5c01\u9762.jpg\" alt=\"\" width=\"600\" height=\"304\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u5c01\u9762.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u5c01\u9762-300x152.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>\u3010\u6838\u5fc3\u521b\u65b0\u70b9\u3011<\/b><\/strong><\/p>\n<p>1.\u4f5c\u8005\u5f00\u53d1\u4e86\u7ec4\u5408\u548c\u8fde\u7eed\u4f18\u5316\u6765\u67e5\u627e\u6676\u80de\u5185\u6240\u6709\u672a\u77e5\u539f\u5b50\u4f4d\u7f6e\u7684\u7b97\u6cd5\uff0c\u4ece\u800c\u5728\u80fd\u91cf\u4fdd\u8bc1\u4e0b\u9884\u6d4b\u6676\u4f53\u6750\u6599\u7684\u7ed3\u6784\uff1b<\/p>\n<p>2.\u8fd9\u79cd\u6676\u4f53\u7ed3\u6784\u9884\u6d4b\u7684\u516c\u5f0f\u5efa\u7acb\u4e86\u4e0e\u7b97\u6cd5\u7406\u8bba\u7684\u8054\u7cfb\uff0c\u5e76\u63d0\u4f9b\u4e86\u89c2\u6d4b\u6216\u9884\u6d4b\u6750\u6599\u7684\u7edd\u5bf9\u80fd\u91cf\u72b6\u6001\u3002<\/p>\n<p><strong><b>\u3010\u6570\u636e\u6982\u89c8\u3011<\/b><\/strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-252638\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72471.jpg\" alt=\"\" width=\"600\" height=\"496\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72471.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72471-300x248.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>\u56fe<\/b><\/strong><strong><b>\u4e00<\/b><\/strong><strong><b>\u3001\u4f7f\u7528\u6574\u6570\u7f16\u7a0b\u7684CSP<\/b><\/strong><strong><b>\u00a0\u00a92023 Springer Nature<\/b><\/strong><strong><b><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-252639\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72472.jpg\" alt=\"\" width=\"600\" height=\"322\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72472.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72472-300x161.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/b><\/strong><\/p>\n<p><strong><b>\u56fe<\/b><\/strong><strong><b>\u4e8c\u3001\u5229\u7528\u6574\u6570\u89c4\u5212\u9884\u6d4b\u77f3\u69b4\u77f3\uff08Ca<\/b><\/strong><strong><sub><b>3<\/b><\/sub><\/strong><strong><b>Al<\/b><\/strong><strong><sub><b>2<\/b><\/sub><\/strong><strong><b>Si<\/b><\/strong><strong><sub><b>3<\/b><\/sub><\/strong><strong><b>O<\/b><\/strong><strong><sub><b>12<\/b><\/sub><\/strong><strong><b>\uff09\u548c\u5c16\u6676\u77f3\uff08MgAl<\/b><\/strong><strong><sub><b>2<\/b><\/sub><\/strong><strong><b>O<\/b><\/strong><strong><sub><b>4<\/b><\/sub><\/strong><strong><b>\uff09\u7684\u7ed3\u6784\u00a92023 Springer Nature<\/b><\/strong><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-252640\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72473.jpg\" alt=\"\" width=\"600\" height=\"467\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72473.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/07\/\u56fe\u72473-300x234.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>\u56fe<\/b><\/strong><strong><b>\u4e09<\/b><\/strong><strong><b>\u3001\u5bf9PES\u7684\u542f\u53d1\u5f0f\u548c\u975e\u542f\u53d1\u5f0f\u63a2\u7d22\u7684\u6bd4\u8f83<\/b><\/strong><strong><b>\u00a92023 Springer Nature<\/b><\/strong><\/p>\n<p><strong><b>\u3010\u6210\u679c\u542f\u793a\u3011<\/b><\/strong><\/p>\n<p>\u7efc\u4e0a\u6240\u8ff0\uff0c\u672c\u6587\u627e\u5230\u6700\u4f4e\u80fd\u91cf\u5468\u671f\u6027\u6676\u683c\u539f\u5b50\u5206\u914d\u7684\u641c\u7d22\u4f8b\u7a0b\u53ef\u7528\u4e8e\u9884\u6d4b\u6676\u4f53\u7ed3\u6784\uff0c\u5e76\u8fdb\u884c\u968f\u540e\u7684\u5c40\u90e8\u6700\u5c0f\u5316\u3002\u8fd9\u79cd\u641c\u7d22\u7684\u6574\u6570\u89c4\u5212\u516c\u5f0f\u63d0\u4f9b\u4e86\u4e00\u79cd\u7b97\u6cd5\uff0c\u53ef\u4ee5\u4fdd\u8bc1\u8bc6\u522bCSP\u4e2d\u7684\u5168\u5c40\u6700\u4f18\u503c\uff0c\u5e76\u4f7f\u91cf\u5b50\u8ba1\u7b97\u673a\u80fd\u591f\u89e3\u51b3\u51fa\u73b0\u7684\u7ec4\u5408\u6311\u6218\u3002\u56e0\u6b64\uff0c\u6240\u5f97\u5230\u7684\u7ed3\u6784\u88ab\u8bc1\u660e\u5728\u7ed9\u5b9a\u7684\u6210\u5206\u4e0b\u63d0\u4f9b\u5c3d\u53ef\u80fd\u4f4e\u7684\u80fd\u91cf\uff0c\u8bc1\u660e\u4e86\u5728\u660e\u786e\u5047\u8bbe\u4e0b\u89c2\u5bdf\u5230\u7684\u539f\u578b\u6750\u6599\u7ed3\u6784\u7684\u6700\u4f73\u6027\u3002\u8fd9\u65e2\u4e3a\u542f\u53d1\u5f0f\u548c\u6570\u636e\u9a71\u52a8\u7684\u7ed3\u6784\u9884\u6d4b\u65b9\u6cd5\u63d0\u4f9b\u4e86\u57fa\u672c\u4e8b\u5b9e\uff0c\u53c8\u901a\u8fc7\u4fdd\u8bc1\u5b9e\u9a8c\u5ba4\u4e2d\u5b9e\u9a8c\u5206\u79bb\u6750\u6599\u7684\u80fd\u91cf\u72b6\u6001\u63d0\u4f9b\u4e86\u57fa\u672c\u7406\u89e3\u3002\u5f00\u53d1\u5145\u5206\u5229\u7528\u65b0\u5174\u8f6f\u4ef6\u548c\u786c\u4ef6\u7684\u7f16\u7801\u548c\u5b9e\u73b0\u5c06\u5728\u6700\u4f73\u6027\u3001\u786e\u5b9a\u6027\u548c\u91cf\u5b50\u4f18\u52bf\u7684\u57fa\u7840\u4e0a\u5b9a\u4e49\u72ec\u7279\u7684CSP\uff0c\u4ece\u800c\u4e3a\u5408\u6210\u4f18\u5148\u7ea7\u548c\u5c5e\u6027\u9884\u6d4b\u63d0\u4f9b\u65b0\u7684\u5de5\u4f5c\u6d41\u7a0b\u3002<\/p>\n<p><strong>\u6587\u732e\u94fe\u63a5\uff1a\u201c<\/strong><a href=\"https:\/\/doi.org\/10.1038\/s41586-023-06071-y\"><strong><u>Optimality guarantees for crystal structure prediction<\/u><\/strong><\/a><strong>\u201d<\/strong><strong>\uff08<\/strong><strong>Nature<\/strong><strong><b>\uff0c<\/b><\/strong><strong>202<\/strong><strong>3<\/strong><strong>\uff0c<\/strong><strong>10.1038\/s41586-023-06071-y<\/strong><strong>\uff09<\/strong><\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4ebaCYM\u7f16\u8bd1\u4f9b\u7a3f\u3002<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u5bfc\u8bfb\u3011 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