{"id":174707,"date":"2019-05-15T06:30:01","date_gmt":"2019-05-14T22:30:01","guid":{"rendered":"\/\/m.iemloyee.com\/?p=174707"},"modified":"2019-05-14T17:25:40","modified_gmt":"2019-05-14T09:25:40","slug":"%e3%80%90%e9%80%9a%e8%ae%af%e4%bd%9c%e8%80%85%e4%b8%ba%e5%9b%bd%e5%a4%96%e6%9c%aa%e6%a0%a1%e7%a8%bf%e3%80%91%e6%96%af%e5%9d%a6%e7%a6%8f%e5%a4%a7%e5%ad%a6prl%ef%bc%9a%e4%bd%bf%e7%94%a8%e4%bb%a3","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=174707","title":{"rendered":"\u65af\u5766\u798f\u5927\u5b66PRL\uff1a\u4f7f\u7528\u4ee3\u7406\u673a\u5668\u5b66\u4e60\u6a21\u578b\u5f00\u53d1\u7528\u4e8eNEB\u8ba1\u7b97\u7684\u4f4e\u6807\u5ea6\u7b97\u6cd5"},"content":{"rendered":"<p>\u3010\u5f15\u8a00\u3011<\/p>\n<p>NEB\u7b97\u6cd5\u662f\u7528\u4e8e\u8ba1\u7b97\u5316\u5b66\u4f53\u7cfb\u4e2d\u8fc7\u6e21\u6001\u6700\u4e3a\u5e38\u7528\u7684\u65b9\u6cd5\u3002\u8fd9\u79cd\u7b97\u6cd5\u4e00\u822c\u901a\u8fc7\u5bfb\u627e\u53cd\u5e94\u7269\u548c\u4ea7\u7269\u8f6c\u5316\u7684\u6700\u5c0f\u80fd\u91cf\u8def\u5f84\uff0c\u6765\u8bc6\u522b\u4e0e\u4e24\u80fd\u6001\u4e4b\u95f4\u7684\u52bf\u5792\u6709\u5173\u7684\u80fd\u91cf\u3002NEB\u7b97\u6cd5\u53ca\u5176\u5f88\u591a\u53d8\u4f53\u90fd\u4f9d\u8d56\u4e8e\u542b\u6709\u539f\u5b50\u7ed3\u6784\u7684\u5185\u63d2\u56fe\u50cf\u7684\u5f39\u6027\u5e26\uff0c\u8fd9\u4e9b\u56fe\u50cf\u53c8\u88ab\u79f0\u4e3a\u79fb\u52a8\u56fe\u50cf\u3002\u8fd9\u4e9b\u56fe\u50cf\u53ef\u4ee5\u7528\u5f39\u6027\u5e38\u6570\u6765\u56fa\u5b9a\uff0c\u5176\u4f4d\u7f6e\u5219\u901a\u8fc7\u52bf\u80fd\u66f2\u9762\u7684\u68af\u5ea6\u8fdb\u884c\u4f18\u5316\uff0c\u540c\u65f6\u4e5f\u53d7\u5f39\u7c27\u6240\u65bd\u52a0\u7684\u529b\u4f5c\u7528\u3002\u722c\u5761\u56fe\u50cf\u4e5f\u53ef\u4ee5\u88ab\u5b8c\u6574\u5730\u5305\u62ec\u8fdb\u6765\uff0c\u4ee5\u786e\u4fdd\u6db5\u76d6\u5e26\u4e2d\u6700\u9ad8\u80fd\u91cf\u70b9\u3002\u8def\u5f84\u4f18\u5316\u662f\u901a\u8fc7\u4e00\u4e2a\u6bcf\u4e00\u6b65\u8fed\u4ee3\u90fd\u5bf9\u6240\u6709\u56fe\u50cf\u8fdb\u884c\u79fb\u52a8\u5e76\u6c42\u503c\u7684\u8fed\u4ee3\u8fc7\u7a0b\u5b9e\u73b0\u7684\u3002\u8fd9\u79cd\u8026\u5408\u8fed\u4ee3\u8fc7\u7a0b\u6210\u672c\u6781\u9ad8\uff0c\u5373\u4f7f\u662f\u4ec5\u5305\u542b\u5355\u4e2a\u7c92\u5b50\u6269\u6563\u768410\u4e2a\u56fe\u50cf\u7684\u4f53\u7cfb\uff0c\u90fd\u9700\u8981\u51e0\u767e\u4e2a\u51fd\u6570\u8c03\u7528\u53d7\u529b\u3002\u6b64\u5916\uff0c\u7b2c\u4e00\u6027\u539f\u7406\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97\u4e2d\uff0c\u529b\u7684\u6c42\u503c\u8981\u82b1\u8d39\u6602\u8d35\u7684\u8ba1\u7b97\u8d44\u6e90\u3002\u56e0\u6b64\uff0c\u5f00\u53d1\u539f\u5b50\u4f53\u7cfb\u7684\u673a\u5668\u5b66\u4e60\u4ee3\u7406\u6a21\u578b\u8feb\u5728\u7709\u776b\u3002<\/p>\n<p>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/p>\n<p>\u8fd1\u65e5\uff0c<strong>\u7f8e\u56fd\u65af\u5766\u798f\u5927\u5b66<\/strong>\u7684<strong>Thomas Bligaard<\/strong><strong>\u7814\u7a76\u5458\uff08\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u56e2\u961f\u5728<strong>Physical Review Letters<\/strong>\u4e0a\u53d1\u8868\u4e86\u9898\u4e3a\u201c<strong>Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning 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href=\"https:\/\/journals.aps.org\/prl\/abstract\/10.1103\/PhysRevLett.122.156001\" target=\"_blank\" rel=\"noopener\">Low-Scaling Algorithm for Nudged Elastic Band Calculations Using a Surrogate Machine Learning Model<\/a>\uff08Phys. Rev. Lett.,2019,DOI: 10.1103\/PhysRevLett.122.156001\uff09<\/p>\n<p>\u672c\u6587\u7531Isobel\u64b0\u5199\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u5f15\u8a00\u3011 NEB\u7b97\u6cd5\u662f\u7528\u4e8e\u8ba1\u7b97\u5316\u5b66\u4f53\u7cfb\u4e2d\u8fc7\u6e21\u6001\u6700\u4e3a\u5e38\u7528\u7684\u65b9\u6cd5\u3002\u8fd9\u79cd\u7b97\u6cd5\u4e00\u822c\u901a\u8fc7\u5bfb\u627e\u53cd\u5e94\u7269\u548c\u4ea7\u7269\u8f6c\u5316\u7684\u6700\u5c0f\u80fd\u91cf\u8def\u5f84\uff0c\u6765\u8bc6\u522b\u4e0e\u4e24\u80fd\u6001\u4e4b\u95f4\u7684\u52bf\u5792\u6709\u5173\u7684\u80fd\u91cf\u3002NEB\u7b97\u6cd5&#8230;<\/p>\n","protected":false},"author":4765,"featured_media":174708,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215,2],"tags":[4013,2733],"class_list":["post-174707","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-jiedu","category-keji","tag-neb","tag-2733"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/174707"}],"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\/4765"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=174707"}],"version-history":[{"count":4,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/174707\/revisions"}],"predecessor-version":[{"id":175469,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/174707\/revisions\/175469"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/174708"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=174707"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=174707"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=174707"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}