{"id":112862,"date":"2017-11-22T06:30:39","date_gmt":"2017-11-21T22:30:39","guid":{"rendered":"\/\/m.iemloyee.com\/?p=112862"},"modified":"2017-11-21T11:32:15","modified_gmt":"2017-11-21T03:32:15","slug":"%e9%ab%98%e9%80%9a%e9%87%8f%e8%ae%a1%e7%ae%97%e5%92%8c%e7%ad%9b%e9%80%89%e5%b8%ae%e5%8a%a9%e5%8a%a0%e5%bf%ab%e6%96%b0%e6%9d%90%e6%9d%90%e6%96%99%e7%9a%84%e5%8f%91%e7%8e%b0","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=112862","title":{"rendered":"\u9ad8\u901a\u91cf\u8ba1\u7b97\u548c\u7b5b\u9009\u5e2e\u52a9\u52a0\u5feb\u65b0\u6750\u6750\u6599\u7684\u53d1\u73b0"},"content":{"rendered":"<p>\u63ba\u6742\u4f5c\u4e3a\u6750\u6599\u7814\u7a76\u7684\u4e00\u79cd\u91cd\u8981\u65b9\u6cd5\uff0c\u4e0d\u4ec5\u53ef\u4ee5\u5bf9\u6750\u6599\u7269\u7406\u5316\u5b66\u6027\u8d28\u8fdb\u884c\u6539\u8fdb\uff0c\u800c\u4e14\u662f\u53d1\u73b0\u65b0\u7ed3\u6784\u7684\u6709\u6548\u65b9\u5f0f\u3002\u901a\u8fc7\u9ad8\u901a\u91cf\u6750\u6599\u8ba1\u7b97\u7814\u7a76\u63ba\u6742\u53ef\u4ee5\u7f29\u5c0f\u6750\u6599\u5b9e\u9a8c\u548c\u5236\u5907\u7684\u5019\u9009\u8303\u56f4\uff0c\u6b63\u662f\u6750\u6599\u57fa\u56e0\u5de5\u7a0b\u6240\u5f3a\u8c03\u7684\u7406\u5ff5\u3002\u901a\u5e38\u7684\u505a\u6cd5\u662f\uff0c\u901a\u8fc7\u904d\u5386\u65b9\u6cd5\u4ea7\u751f\u7684\u6279\u91cf\u63ba\u6742\u7ed3\u6784\uff0c\u5229\u7528\u7b2c\u4e00\u6027\u539f\u7406\u65b9\u6cd5\u8ba1\u7b97\u8fd9\u4e9b\u6279\u91cf\u7ed3\u6784\u7684\u80fd\u91cf\uff0c\u7136\u540e\u901a\u8fc7\u9ad8\u901a\u91cf\u7b5b\u9009\u4ece\u8fd9\u4e9b\u6279\u91cf\u7ed3\u6784\u4e2d\u7b5b\u9009\u51fa\u80fd\u91cf\u4f4e\u7684\u7a33\u5b9a\u7ed3\u6784\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u63ba\u6742\u7ed3\u6784\u7684\u6570\u91cf\u968f\u7740\u539f\u5b50\u6570\u7684\u589e\u52a0\u5448\u6307\u6570\u589e\u957f\u3002\u56e0\u6b64\uff0c\u901a\u8fc7\u76f4\u63a5\u8ba1\u7b97\u6240\u6709\u7ed3\u6784\u7684\u80fd\u91cf\u8fdb\u884c\u7b5b\u9009\u7684\u65b9\u6cd5\u975e\u5e38\u8017\u65f6\u3002\u4e3a\u6b64\uff0c\u4e2d\u56fd\u79d1\u5b66\u9662\u8ba1\u7b97\u673a\u7f51\u7edc\u4fe1\u606f\u4e2d\u5fc3\u6750\u6599\u57fa\u56e0\u5b9e\u9a8c\u5ba4\u53d1\u5c55\u4e86\u4e00\u79cd\u53ef\u4ee5\u5feb\u901f\u5b9e\u73b0\u7a33\u5b9a\u7ed3\u6784\u7b5b\u9009\u7684\u65b9\u6cd5\u548c\u6280\u672f\u3002\u8be5\u7814\u7a76\u6210\u679c\u8fd1\u671f\u5df2\u7ecf\u5728\u56fd\u9645\u671f\u520a<strong><em>Computational Material Science<\/em><\/strong> \u53d1\u8868(Comput.Mater.Sci,143(2018)55)\u3002<\/p>\n<p style=\"text-align: center;\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-112897 size-full\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/171118-\u6750\u6599\u8ba1\u7b97-1.png\" alt=\"\" width=\"650\" height=\"250\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/171118-\u6750\u6599\u8ba1\u7b97-1.png 650w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/11\/171118-\u6750\u6599\u8ba1\u7b97-1-300x115.png 300w\" sizes=\"(max-width: 650px) 100vw, 650px\" \/>\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u56fe1(\u5de6\u56fe) \u00a0\u5e94\u7528CE Screen\u9884\u6d4bAl-Ti\u7a33\u5b9a \u7ed3\u6784\u7684\u4e00\u4e2a\u5e94\u7528\u6848\u4f8b \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/p>\n<p style=\"text-align: center;\">\u56fe2 (\u53f3\u56fe) \u63ba\u6742\u7ed3\u6784\u6570\u91cf\u4e0e\u91c7\u7528CE Screen\u9700\u8981\u5f00 \u5c55\u8ba1\u7b97\u7684\u7ed3\u6784\u6570\u91cf\u5bf9\u6bd4<\/p>\n<p style=\"text-align: left;\">\u57fa\u4e8e\u6750\u6599\u57fa\u56e0\u5b9e\u9a8c\u5ba4\u81ea\u4e3b\u7814\u53d1\u7684\u9ad8\u901a\u91cf\u6750\u6599\u81ea\u52a8\u6d41\u7a0b\u8ba1\u7b97\u548c\u6570\u636e\u7ba1\u7406\u5e73MatCloud (http:\/\/matcloud.cnic.cn)\uff0c\u5e76\u501f\u9274\u56e2\u7c07\u5c55\u5f00\u65b9\u6cd5\u7684\u7406\u5ff5\uff0c\u6211\u4eec\u5f00\u53d1\u4e86\u4e00\u5957\u7b80\u5355\u4fbf\u6377\u7684\u5de5\u4f5c\u6d41\u6280\u672f\u3002\u901a\u8fc7MatCloud\uff0c\u7528\u6237\u4ec5\u9700\u8981\u51e0\u4e2a\u7b80\u5355\u7684\u64cd\u4f5c\u5c31\u53ef\u4ee5\u65b9\u4fbf\u5730\u4f7f\u7528\u590d\u6742\u7684\u56e2\u7c07\u5c55\u5f00\u65b9\u6cd5\uff0c\u5e76\u4e14\u5feb\u901f\u5b9e\u73b0\u5bf9\u7a33\u5b9a\u7ed3\u6784\u7684\u7b5b\u9009\u3002\u5728\u8be5\u7814\u7a76\u8bba\u6587\u4e2d\uff0c\u4f5c\u8005\u4ee5Fe-Al\u548cAl-Ti\u4e24\u79cd\u56fa\u6eb6\u4f53\u7cfb\u4e3a\u4f8b\uff0c\u5229\u7528\u53d1\u5c55\u7684\u5de5\u4f5c\u6d41\u6280\u672f\u7b5b\u9009\u51fa\u4e86\u7a33\u5b9a\u7ed3\u6784\u3002\u901a\u8fc7\u4e0e\u76f4\u63a5\u8fdb\u884c\u7b2c\u4e00\u6027\u539f\u7406\u8ba1\u7b97\u7b5b\u9009\u51fa\u7684\u7ed3\u679c\u6bd4\u8f83\uff0c\u7ed3\u679c\u7b26\u5408\uff0c\u800c\u8ba1\u7b97\u91cf\u5206\u522b\u51cf\u5c11\u4e8666%\u548c84%\u3002\u8be5\u9879\u7814\u7a76\u5de5\u4f5c\u5f97\u5230\u56fd\u5bb6\u91cd\u70b9\u7814\u53d1\u8ba1\u5212\u548c\u56fd\u5bb6\u81ea\u7136\u79d1\u5b66\u57fa\u91d1\u91cd\u70b9\u9879\u76ee\u7684\u652f\u6301\u3002<\/p>\n<p>\u6587\u732e\u94fe\u63a5\uff1a<a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0927025617305980?via%3Dihub\" target=\"_blank\" rel=\"noopener\">CE Screen: An energy-based structure screening automatic workflow<\/a>\u00a0( Computational Materials Science, 2017, DOI:\u00a010.1016\/j.commatsci.2017.10.035)<\/p>\n<p>\u672c\u6587\u7531\u4e2d\u79d1\u9662\u8ba1\u7b97\u673a\u7f51\u7edc\u4fe1\u606f\u4e2d\u5fc3\u738b\u5b97\u56fd\u64b0\u7a3f\uff0c\u8ba1\u7b97\u7ec4 \u6df1\u6d77\u4e07\u91cc \u7f16\u8f91\u6574\u7406\u3002<\/p>\n<p>\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<a href=\"\/\/m.iemloyee.com\/25127.html\" target=\"_blank\" rel=\"noopener\">\u70b9\u6211\u52a0\u5165\u7f16\u8f91\u90e8\u5927\u5bb6\u5ead<\/a>\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\u7bb1tougao@cailiaoren.com\u3002<\/p>\n<p><strong><b>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1aRDD-2011-CHERISH\uff0c\u4efb\u4e39\u4e39\uff0c\u6211\u4eec\u4f1a\u9080\u8bf7\u5404\u4f4d\u8001\u5e08\u52a0\u5165\u4e13\u5bb6\u7fa4\u3002<\/b><\/strong><\/p>\n<p><strong><b>\u6750\u6599\u6d4b\u8bd5\u3001\u6570\u636e\u5206\u6790\uff0c<\/b><\/strong><strong><b>\u4e0a<\/b><\/strong><a href=\"http:\/\/www.ceshigu.com\/\" target=\"_blank\" rel=\"noopener\"><strong><b>\u6d4b\u8bd5\u8c37<\/b><\/strong><\/a><strong><b>\uff01<\/b><\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u63ba\u6742\u4f5c\u4e3a\u6750\u6599\u7814\u7a76\u7684\u4e00\u79cd\u91cd\u8981\u65b9\u6cd5\uff0c\u4e0d\u4ec5\u53ef\u4ee5\u5bf9\u6750\u6599\u7269\u7406\u5316\u5b66\u6027\u8d28\u8fdb\u884c\u6539\u8fdb\uff0c\u800c\u4e14\u662f\u53d1\u73b0\u65b0\u7ed3\u6784\u7684\u6709\u6548\u65b9\u5f0f\u3002\u901a\u8fc7\u9ad8\u901a\u91cf\u6750\u6599\u8ba1\u7b97\u7814\u7a76\u63ba\u6742\u53ef\u4ee5\u7f29\u5c0f\u6750\u6599\u5b9e\u9a8c\u548c\u5236\u5907\u7684\u5019\u9009\u8303\u56f4\uff0c\u6b63\u662f&#8230;<\/p>\n","protected":false},"author":2219,"featured_media":112897,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[2],"tags":[2568],"class_list":["post-112862","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-keji","tag-2568"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/112862"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/2219"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=112862"}],"version-history":[{"count":7,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/112862\/revisions"}],"predecessor-version":[{"id":113290,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/112862\/revisions\/113290"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/112897"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=112862"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=112862"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=112862"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}