{"id":192852,"date":"2019-12-20T06:57:07","date_gmt":"2019-12-19T22:57:07","guid":{"rendered":"\/\/m.iemloyee.com\/?p=192852"},"modified":"2019-12-20T19:46:40","modified_gmt":"2019-12-20T11:46:40","slug":"npj-computational-materials%ef%bc%9a%e5%88%a9%e7%94%a8%e6%9c%ba%e5%99%a8%e5%ad%a6%e4%b9%a0%e8%af%84%e4%bc%b0%e4%bb%a5%e5%8f%8a%e6%8b%93%e5%b1%95%e9%ab%98%e7%86%b5%e5%90%88%e9%87%91%e7%9b%b8%e8%ae%be","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=192852","title":{"rendered":"npj computational 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loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-192855\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/1-39.jpg\" alt=\"\" width=\"866\" height=\"866\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/1-39.jpg 866w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/1-39-150x150.jpg 150w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/1-39-300x300.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/1-39-768x768.jpg 768w\" sizes=\"(max-width: 866px) 100vw, 866px\" \/><\/p>\n<p>\u56fe2. \u5377\u79ef\u795e\u7ecf\u7f51\u7edc\u673a\u5668\u5b66\u4e60\u6a21\u578b\u7b80\u56fe<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-192856\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/2-39.jpg\" alt=\"\" width=\"867\" height=\"867\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/2-39.jpg 867w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/2-39-150x150.jpg 150w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/2-39-300x300.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/2-39-768x768.jpg 768w\" sizes=\"(max-width: 867px) 100vw, 867px\" \/><\/p>\n<p>\u56fe3. \u57fa\u4e8e\u4eba\u5de5\u795e\u7ecf\u7f51\u7edc\u7684\u53c2\u91cf\u7075\u654f\u5ea6\u91cf\u56fe\u8868<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-192857\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/3-39.jpg\" alt=\"\" width=\"869\" height=\"954\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/3-39.jpg 869w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/3-39-273x300.jpg 273w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/3-39-768x843.jpg 768w\" sizes=\"(max-width: 869px) 100vw, 869px\" \/><\/p>\n<p>(a)\u975e\u6676\u76f8\u7075\u654f\u5ea6\u91cf\u56fe\u8868<\/p>\n<p>(b)\u91d1\u5c5e\u95f4\u5316\u5408\u7269\u7075\u654f\u5ea6\u91cf\u56fe\u8868<\/p>\n<p>(c)\u56fa\u6eb6\u4f53\u7075\u654f\u5ea6\u91cf\u56fe\u8868<\/p>\n<p>\u56fe4. \u7535\u5f27\u7194\u70bc\u94dc\u6a21\u94f8\u9020\u94c1\u94ec\u954d\u9506\u94dc\u7cfb\u7edf\u5408\u91d1\u7684\u8868\u5f81<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-192858\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/4-39.jpg\" alt=\"\" width=\"1140\" height=\"692\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/4-39.jpg 1140w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/4-39-300x182.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/4-39-768x466.jpg 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/4-39-1024x622.jpg 1024w\" sizes=\"(max-width: 1140px) 100vw, 1140px\" \/><\/p>\n<p>(a)X\u5c04\u7ebf\u884d\u5c04\u6807\u5b9a\u56fe<\/p>\n<p>(b)\u626b\u63cf\u7535\u955c\u80fd\u8c31\u6210\u5206\u5206\u6790\u56fe<\/p>\n<p>(c)\u673a\u5668\u5b66\u4e60\u6a21\u578b\u9884\u6d4b\u7ed3\u679c\u4e0e\u5b9e\u9645\u5b9e\u9a8c\u7ed3\u679c\u5bf9\u6bd4\u56fe\uff0c\u5176\u4e2d\u989c\u8272\u8868\u793a\u6a21\u578b\u9884\u6d4b\u7ed3\u679c\uff0c\u7b26\u53f7\u8868\u793a\u5b9e\u9645\u5b9e\u9a8c\u7ed3\u679c<\/p>\n<p>\u56fe5. \u94c1\u94ec\u954d\u9506\u94dc\u7cfb\u7edf\u6761\u5e26\u548c\u8584\u819c\u7ed3\u6784\u8868\u5f81<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-192859\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/5-32.jpg\" alt=\"\" width=\"777\" height=\"758\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/5-32.jpg 777w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/5-32-300x293.jpg 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/12\/5-32-768x749.jpg 768w\" sizes=\"(max-width: 777px) 100vw, 777px\" 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computational materials, \u7b2c\u4e00\u4f5c\u8005\u4e3a\u5468\u5b50\u6e05\uff0c\u901a\u8baf\u4f5c\u8005\u4e3a\u6768\u52c7\u6559\u6388\uff0c\u8fd9\u9879\u5de5\u4f5c\u5f97\u5230\u4e86\u9999\u6e2f\u7279\u522b\u884c\u653f\u533a\u4e00\u822c\u7814\u7a76\u9879\u76eeCityU11213118\u548cCityU11209317\u7684\u652f\u6301<\/p>\n<p>\u8bba\u6587\u5730\u5740\uff1ahttps:\/\/www.nature.com\/articles\/s41524-019-0265-1<\/p>\n<p>\u672c\u6587\u7531<strong>\u9999\u6e2f\u57ce\u5e02\u5927\u5b66<\/strong>\u4f9b\u7a3f\u3002<\/p>\n<p>\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\u7bb1\uff1a<a href=\"mailto:tougao@cailiaoren.com\">tougao@cailiaoren.com<\/a><\/p>\n<p>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaorenvip<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u5f15\u8a00 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