{"id":1123149,"date":"2025-01-21T20:38:05","date_gmt":"2025-01-22T04:38:05","guid":{"rendered":"https:\/\/www.microsoft.com\/en-us\/research\/?post_type=msr-blog-post&#038;p=1123149"},"modified":"2025-01-21T22:09:25","modified_gmt":"2025-01-22T06:09:25","slug":"mattergen","status":"publish","type":"msr-blog-post","link":"https:\/\/www.microsoft.com\/en-us\/research\/articles\/mattergen\/","title":{"rendered":"MatterGen\uff1a\u57fa\u4e8e\u751f\u6210\u5f0fAI\u7684\u6750\u6599\u8bbe\u8ba1\u65b0\u8303\u5f0f"},"content":{"rendered":"\n<p>\u7f16\u8005\u6309\uff1a\u8fd1\u65e5\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u63d0\u51fa\u4e86\u4e00\u79cd\u521b\u65b0\u7684\u751f\u6210\u5f0f AI \u6750\u6599\u8bbe\u8ba1\u5de5\u5177 MatterGen, \u7a81\u7834\u4e86\u4f20\u7edf\u6750\u6599\u7b5b\u9009\u65b9\u6cd5\u7684\u5c40\u9650\uff0c\u80fd\u591f\u5728\u66f4\u5e7f\u6cdb\u7684\u6750\u6599\u7a7a\u95f4\u4e2d\u8fdb\u884c\u9ad8\u6548\u63a2\u7d22\uff0c\u5e76\u6839\u636e\u5e94\u7528\u9700\u6c42\u76f4\u63a5\u751f\u6210\u65b0\u6750\u6599\u3002\u8be5\u6a21\u578b\u53ef\u4ee5\u9488\u5bf9\u6750\u6599\u7684\u7279\u6b8a\u51e0\u4f55\u7ed3\u6784\u8fdb\u884c\u4f18\u5316\uff0c\u5728\u5316\u5b66\u6210\u5206\u3001\u7269\u7406\u5c5e\u6027\u7b49\u591a\u65b9\u9762\u751f\u6210\u7a33\u5b9a\u7684\u65b0\u578b\u6750\u6599\uff0c\u5f00\u542f\u4e86\u57fa\u4e8e\u751f\u6210\u5f0f AI \u8f85\u52a9\u6750\u6599\u8bbe\u8ba1\u7684\u65b0\u8303\u5f0f\uff0c\u5e76\u5c06\u5bf9\u7535\u6c60\u3001\u78c1\u94c1\u7b49\u9886\u57df\u7684\u521b\u65b0\u4ea7\u751f\u6df1\u8fdc\u5f71\u54cd\u3002<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"576\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-1024x576.png\" alt=\"MatterGen\" class=\"wp-image-1123158\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-1024x576.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-300x169.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-768x432.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-1066x600.png 1066w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-655x368.png 655w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-240x135.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-640x360.png 640w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-960x540.png 960w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044-1280x720.png 1280w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790742f86044.png 1400w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>\u6750\u6599\u521b\u65b0\u662f\u63a8\u52a8\u91cd\u5927\u6280\u672f\u7a81\u7834\u7684\u5173\u952e\u56e0\u7d20\u4e4b\u4e00\u300220\u4e16\u7eaa80\u5e74\u4ee3\u9502\u94b4\u6c27\u5316\u7269\u7684\u53d1\u73b0\u4e3a\u73b0\u5728\u7684\u9502\u79bb\u5b50\u7535\u6c60\u6280\u672f\u5960\u5b9a\u4e86\u57fa\u7840\u3002\u5982\u4eca\uff0c\u9502\u79bb\u5b50\u7535\u6c60\u4e3a\u73b0\u4ee3\u624b\u673a\u548c\u7535\u52a8\u6c7d\u8f66\u63d0\u4f9b\u52a8\u529b\uff0c\u5f71\u54cd\u7740\u6570\u5341\u4ebf\u4eba\u7684\u65e5\u5e38\u751f\u6d3b\u3002\u6750\u6599\u521b\u65b0\u540c\u6837\u662f\u8bbe\u8ba1\u66f4\u9ad8\u6548\u592a\u9633\u80fd\u7535\u6c60\u3001\u7528\u4e8e\u7535\u7f51\u7ea7\u80fd\u6e90\u5b58\u50a8\u7684\u4f4e\u6210\u672c\u7535\u6c60\uff0c\u4ee5\u53ca\u7528\u4e8e\u4ece\u5927\u6c14\u4e2d\u56de\u6536\u4e8c\u6c27\u5316\u78b3\u5438\u9644\u5242\u6240\u5fc5\u9700\u7684\u4e00\u73af\u3002<\/p>\n\n\n\n<p>\u627e\u5230\u4e00\u79cd\u7b26\u5408\u7279\u5b9a\u9700\u6c42\u7684\u65b0\u6750\u6599\u5982\u540c\u5927\u6d77\u635e\u9488\u3002\u8fc7\u53bb\uff0c\u8fd9\u9879\u4efb\u52a1\u9700\u8981\u901a\u8fc7\u6602\u8d35\u4e14\u8017\u65f6\u7684\u5b9e\u9a8c\u8bd5\u9519\u6765\u5b8c\u6210\u3002\u8fd1\u5e74\u6765\uff0c\u8ba1\u7b97\u7b5b\u9009\u5927\u89c4\u6a21\u6750\u6599\u6570\u636e\u5e93\u52a0\u5feb\u4e86\u8fd9\u4e00\u8fc7\u7a0b\uff0c\u4f46\u4ecd\u9700\u8981\u7b5b\u9009\u6570\u767e\u4e07\u4e2a\u5019\u9009\u6750\u6599\u624d\u80fd\u627e\u5230\u5c11\u6570\u5408\u9002\u7684\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"669\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-1024x669.jpg\" alt=\"\u6750\u6599\u8bbe\u8ba1\u7b5b\u9009\u65b9\u6cd5\u548c\u751f\u6210\u65b9\u6cd5\u793a\u610f\u56fe\" class=\"wp-image-1123155\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-1024x669.jpg 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-300x196.jpg 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-768x502.jpg 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-1536x1004.jpg 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-2048x1339.jpg 2048w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/mattergen-2-240x157.jpg 240w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe1\uff1a\u6750\u6599\u8bbe\u8ba1\u7b5b\u9009\u65b9\u6cd5\u548c\u751f\u6210\u65b9\u6cd5\u793a\u610f\u56fe<\/figcaption><\/figure>\n\n\n\n<p><a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/www.nature.com\/articles\/s41586-025-08628-5\">\u5728\u9876\u7ea7\u79d1\u5b66\u6742\u5fd7\u300a\u81ea\u7136\u300b\uff08\u300aNature\u300b\uff09\u8fd1\u671f\u53d1\u8868\u7684\u8bba\u6587\u4e2d<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u7814\u7a76\u5458\u4eec\u63d0\u51fa\u4e86\u4e00\u4e2a\u4ece\u4e0d\u540c\u89d2\u5ea6\u89e3\u51b3\u6750\u6599\u53d1\u73b0\u95ee\u9898\u7684\u751f\u6210\u5f0f AI \u5de5\u5177 MatterGen\u3002\u4e0d\u540c\u4e8e\u7b5b\u9009\u5019\u9009\u6750\u6599\uff0cMatterGen \u76f4\u63a5\u6839\u636e\u5e94\u7528\u9700\u6c42\u7684\u8bbe\u8ba1\u8981\u6c42\u751f\u6210\u65b0\u7684\u6750\u6599\uff0c\u53ef\u4ee5\u751f\u6210\u5177\u6709\u6240\u9700\u5316\u5b66\u3001\u673a\u68b0\u3001\u7535\u5b50\u6216\u78c1\u6027\u5c5e\u6027\uff0c\u4ee5\u53ca\u6ee1\u8db3\u4e0d\u540c\u7ea6\u675f\u6761\u4ef6\u7684\u6750\u6599\u3002MatterGen \u5f00\u542f\u4e86\u4e00\u79cd\u57fa\u4e8e\u751f\u6210\u5f0f AI \u8f85\u52a9\u6750\u6599\u8bbe\u8ba1\u7684\u65b0\u8303\u5f0f\uff0c\u80fd\u591f\u9ad8\u6548\u63a2\u7d22\u6750\u6599\uff0c\u8fdb\u800c\u8d85\u8d8a\u5df2\u77e5\u7684\u6750\u6599\u8303\u56f4\u3002<\/p>\n\n\n\n<p><em>\u8bba\u6587\u94fe\u63a5\uff1a<a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/www.nature.com\/articles\/s41586-025-08628-5\">https:\/\/www.nature.com\/articles\/s41586-025-08628-5<span class=\"sr-only\"> (opens in new tab)<\/span><\/a><\/em><\/p>\n\n\n\n<p><em>GitHub \u94fe\u63a5\uff1a<a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/github.com\/microsoft\/mattergen\">https:\/\/github.com\/microsoft\/mattergen<span class=\"sr-only\"> (opens in new tab)<\/span><\/a><\/em><\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u521b\u65b0\u578b\u6269\u6563\u67b6\u6784\">\u521b\u65b0\u578b\u6269\u6563\u67b6\u6784<\/h2>\n\n\n\n<p>\u4f5c\u4e3a\u4e00\u4e2a\u57fa\u4e8e\u6750\u6599\u4e09\u7ef4\u51e0\u4f55\u7ed3\u6784\u7684\u6269\u6563\u6a21\u578b\uff0cMatterGen \u53ef\u4ee5\u901a\u8fc7\u8c03\u6574\u968f\u673a\u7ed3\u6784\u4e2d\u7684\u5143\u7d20\u3001\u4f4d\u7f6e\u548c\u5468\u671f\u6027\u6676\u683c\u6765\u751f\u6210\u6240\u9700\u7684\u6750\u6599\u7ed3\u6784\uff0c\u8fd9\u7c7b\u4f3c\u4e8e\u56fe\u50cf\u6269\u6563\u6a21\u578b\u6839\u636e\u6587\u672c\u63d0\u793a\u4fee\u6539\u566a\u58f0\u56fe\u50cf\u50cf\u7d20\u989c\u8272\u6765\u751f\u6210\u56fe\u7247\u3002\u8be5\u6269\u6563\u67b6\u6784\u4e13\u4e3a\u6750\u6599\u8bbe\u8ba1\uff0c\u65e8\u5728\u89e3\u51b3\u5468\u671f\u6027\u548c\u4e09\u7ef4\u51e0\u4f55\u7b49\u7279\u6b8a\u6027\u8d28\u95ee\u9898\u3002<\/p>\n\n\n\n<p>MatterGen \u7684\u57fa\u7840\u6a21\u578b\u5728\u751f\u6210\u65b0\u9896\u3001\u7a33\u5b9a\u4e14\u591a\u6837\u5316\u7684\u6750\u6599\u65b9\u9762\u5df2\u8fbe\u5230\u9886\u5148\u6c34\u5e73\uff08\u5982\u56fe2\u6240\u793a\uff09\u3002\u8be5\u6a21\u578b\u5229\u7528\u6765\u81ea <a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/next-gen.materialsproject.org\">Materials Project<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\uff08MP\uff09\u548c <a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/alexandria.icams.rub.de\">Alexandria<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\uff08Alex\uff09\u6570\u636e\u5e93\u7684608,000\u79cd\u7a33\u5b9a\u6750\u6599\u8fdb\u884c\u8bad\u7ec3\u3002\u5176\u6027\u80fd\u7684\u63d0\u5347\u5f97\u76ca\u4e8e\u67b6\u6784\u7684\u4f18\u5316\u4ee5\u53ca\u9ad8\u8d28\u91cf\u3001\u5927\u89c4\u6a21\u7684\u8bad\u7ec3\u6570\u636e\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"404\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-1024x404.png\" alt=\"MatterGen \u4e0e\u5176\u4ed6\u65b9\u6cd5\u5728\u751f\u6210\u7a33\u5b9a\u3001\u65b0\u9896\u548c\u72ec\u7279\u7ed3\u6784\u7684\u6750\u6599\u65b9\u9762\u7684\u6027\u80fd\u6bd4\u8f83\u3002\u6bcf\u79cd\u65b9\u6cd5\u7684\u8bad\u7ec3\u6570\u636e\u96c6\u5728\u62ec\u53f7\u4e2d\u6807\u51fa\u3002\u7d2b\u8272\u8868\u793a\u4ec5\u7531\u4e8e MatterGen \u67b6\u6784\u5e26\u6765\u7684\u6027\u80fd\u63d0\u5347\uff0c\u9752\u8272\u5219\u8868\u793a\u7531\u66f4\u5927\u7684\u6570\u636e\u96c6\u5e26\u6765\u7684\u6027\u80fd\u63d0\u5347\u3002\" class=\"wp-image-1123164\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-1024x404.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-300x118.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-768x303.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-1536x606.png 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2-240x95.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790744e747d2.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe2\uff1aMatterGen \u4e0e\u5176\u4ed6\u65b9\u6cd5\u5728\u751f\u6210\u7a33\u5b9a\u3001\u65b0\u9896\u548c\u72ec\u7279\u7ed3\u6784\u7684\u6750\u6599\u65b9\u9762\u7684\u6027\u80fd\u6bd4\u8f83\u3002\u6bcf\u79cd\u65b9\u6cd5\u7684\u8bad\u7ec3\u6570\u636e\u96c6\u5728\u62ec\u53f7\u4e2d\u6807\u51fa\u3002\u7d2b\u8272\u8868\u793a\u4ec5\u7531\u4e8e MatterGen \u67b6\u6784\u5e26\u6765\u7684\u6027\u80fd\u63d0\u5347\uff0c\u9752\u8272\u5219\u8868\u793a\u7531\u66f4\u5927\u7684\u6570\u636e\u96c6\u5e26\u6765\u7684\u6027\u80fd\u63d0\u5347\u3002<\/figcaption><\/figure>\n\n\n\n<p>MatterGen \u8fd8\u53ef\u4ee5\u901a\u8fc7\u6807\u6ce8\u6570\u636e\u96c6\u8fdb\u884c\u5fae\u8c03\uff0c\u5728\u7ed9\u5b9a\u4efb\u4f55\u6240\u9700\u6761\u4ef6\u7684\u60c5\u51b5\u4e0b\u751f\u6210\u65b0\u6750\u6599\u3002\u56fe3\u5c55\u793a\u4e86\u5728\u7ed9\u5b9a\u76ee\u6807\u7684\u5316\u5b66\u6210\u5206\u548c\u5bf9\u79f0\u6027\u7ea6\u675f\uff0c\u4ee5\u53ca\u7535\u5b50\u3001\u78c1\u6027\u548c\u673a\u68b0\u5c5e\u6027\u9650\u5236\u7684\u60c5\u51b5\u4e0b\uff0c\u751f\u6210\u65b0\u6750\u6599\u7684\u793a\u4f8b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"924\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-1024x924.png\" alt=\"MatterGen \u793a\u610f\u56fe\u3002MatterGen \u53ef\u4ee5\u6839\u636e\u4e0d\u540c\u8bbe\u8ba1\u8981\u6c42\uff0c\u5982\u7279\u5b9a\u7684\u5316\u5b66\u6210\u5206\u3001\u6676\u4f53\u5bf9\u79f0\u6027\u6216\u6750\u6599\u5c5e\u6027\uff0c\u5bf9\u6a21\u578b\u8fdb\u884c\u5fae\u8c03\u3002\" class=\"wp-image-1123161\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-1024x924.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-300x271.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-768x693.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-1536x1386.png 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d-199x180.png 199w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-67907445b434d.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe3\uff1aMatterGen \u793a\u610f\u56fe\u3002MatterGen \u53ef\u4ee5\u6839\u636e\u4e0d\u540c\u8bbe\u8ba1\u8981\u6c42\uff0c\u5982\u7279\u5b9a\u7684\u5316\u5b66\u6210\u5206\u3001\u6676\u4f53\u5bf9\u79f0\u6027\u6216\u6750\u6599\u5c5e\u6027\uff0c\u5bf9\u6a21\u578b\u8fdb\u884c\u5fae\u8c03\u3002<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u4f18\u4e8e\u4f20\u7edf\u7b5b\u9009\u65b9\u6cd5mattergen-\u76f8\u5bf9\u4e8e\u7b5b\u9009\u65b9\u6cd5\u7684\u4e3b\u8981\u4f18\u52bf\u5728\u4e8e\u5176\u80fd\u591f\u8bbf\u95ee\u672a\u77e5\u6750\u6599\u7684\u5b8c\u6574\u7a7a\u95f4-\u5982\u56fe4\u6240\u793a-mattergen-\u5728\u751f\u6210\u96be\u4ee5\u88ab\u538b\u7f29\u7684\u5177\u6709\u8f83\u9ad8\u4f53\u79ef\u6a21\u91cf-\u5982\u5927\u4e8e400-gpa-\u7684\u65b0\u5019\u9009\u6750\u6599\u65b9\u9762\u8868\u73b0\u4f18\u5f02-\u76f8\u6bd4\u4e4b\u4e0b-\u7b5b\u9009\u57fa\u51c6\u65b9\u6cd5\u53d7\u9650\u4e8e\u5df2\u77e5\u6750\u6599\u800c\u8d8b\u4e8e\u9971\u548c\">\u4f18\u4e8e\u4f20\u7edf\u7b5b\u9009\u65b9\u6cd5<\/h2>\n\n\n\n<p>MatterGen \u76f8\u5bf9\u4e8e\u7b5b\u9009\u65b9\u6cd5\u7684\u4e3b\u8981\u4f18\u52bf\u5728\u4e8e\u5176\u80fd\u591f\u8bbf\u95ee\u672a\u77e5\u6750\u6599\u7684\u5b8c\u6574\u7a7a\u95f4\u3002\u5982\u56fe4\u6240\u793a\uff0cMatterGen \u5728\u751f\u6210\u96be\u4ee5\u88ab\u538b\u7f29\u7684\u5177\u6709\u8f83\u9ad8\u4f53\u79ef\u6a21\u91cf\uff08\u5982\u5927\u4e8e400 GPa\uff09\u7684\u65b0\u5019\u9009\u6750\u6599\u65b9\u9762\u8868\u73b0\u4f18\u5f02\u3002\u76f8\u6bd4\u4e4b\u4e0b\uff0c\u7b5b\u9009\u57fa\u51c6\u65b9\u6cd5\u53d7\u9650\u4e8e\u5df2\u77e5\u6750\u6599\u800c\u8d8b\u4e8e\u9971\u548c\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"459\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-1024x459.png\" alt=\"MatterGen\uff08\u9752\u8272\uff09\u4e0e\u4f20\u7edf\u7b5b\u9009\u65b9\u6cd5\uff08\u9ec4\u8272\uff09\u5728\u5bfb\u627e\u6ee1\u8db3\u8bbe\u8ba1\u8981\u6c42\uff08\u5982\u5177\u6709\u5927\u4e8e400 GPa\u7684\u4f53\u79ef\u6a21\u91cf\uff09\u7684\u65b0\u9896\u3001\u7a33\u5b9a\u548c\u72ec\u7279\u7ed3\u6784\u65b9\u9762\u7684\u6027\u80fd\u5bf9\u6bd4\u3002\" class=\"wp-image-1123167\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-1024x459.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-300x134.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-768x344.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-1536x689.png 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a-240x108.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790745b4530a.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe4\uff1aMatterGen\uff08\u9752\u8272\uff09\u4e0e\u4f20\u7edf\u7b5b\u9009\u65b9\u6cd5\uff08\u9ec4\u8272\uff09\u5728\u5bfb\u627e\u6ee1\u8db3\u8bbe\u8ba1\u8981\u6c42\uff08\u5982\u5177\u6709\u5927\u4e8e400 GPa\u7684\u4f53\u79ef\u6a21\u91cf\uff09\u7684\u65b0\u9896\u3001\u7a33\u5b9a\u548c\u72ec\u7279\u7ed3\u6784\u65b9\u9762\u7684\u6027\u80fd\u5bf9\u6bd4\u3002<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u5904\u7406\u6210\u5206\u65e0\u5e8f\">\u5904\u7406\u6210\u5206\u65e0\u5e8f<\/h2>\n\n\n\n<p>\u6210\u5206\u65e0\u5e8f\u662f\u4e00\u4e2a\u5e38\u89c1\u73b0\u8c61\uff0c\u6307\u7684\u662f\u4e0d\u540c\u7684\u539f\u5b50\u53ef\u4ee5\u5728\u5408\u6210\u6750\u6599\u4e2d\u968f\u673a\u4ea4\u6362\u5b83\u4eec\u7684\u6676\u4f53\u5b66\u4f4d\u7f6e\u3002\u8fd1\u5e74\u6765\uff0c\u793e\u533a\u6301\u7eed\u63a2\u7d22\u5728\u8ba1\u7b97\u8bbe\u8ba1\u6750\u6599\u7684\u80cc\u666f\u4e0b\uff0c\u4ec0\u4e48\u624d\u7b97\u662f\u65b0\u9896\u7684\u6750\u6599\uff0c\u56e0\u4e3a\u5e7f\u6cdb\u4f7f\u7528\u7684\u7b97\u6cd5\u65e0\u6cd5\u533a\u5206\u76f8\u4f3c\u5143\u7d20\u4ec5\u5728\u6392\u5217\u4e0a\u6709\u6240\u4e0d\u540c\u7684\u4e24\u79cd\u7ed3\u6784\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"403\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-1024x403.png\" alt=\"\u6210\u5206\u65e0\u5e8f\u793a\u610f\u56fe\u3002\u5de6\uff1a\u6ca1\u6709\u6210\u5206\u65e0\u5e8f\u7684\u5b8c\u7f8e\u6676\u4f53\uff0c\u5177\u6709\u91cd\u590d\u7684\u5355\u4f4d\u6676\u80de\uff08\u9ed1\u8272\u865a\u7ebf\uff09\u3002\u53f3\uff1a\u5177\u6709\u6210\u5206\u65e0\u5e8f\u7684\u6676\u4f53\uff0c\u5176\u4e2d\u6bcf\u4e2a\u4f4d\u7f6e\u670950%\u7684\u6982\u7387\u4e3a\u9ec4\u8272\u548c\u9752\u8272\u539f\u5b50\u3002\" class=\"wp-image-1123170\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-1024x403.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-300x118.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-768x302.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-1536x604.png 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018-240x94.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790746c9f018.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe5\uff1a\u6210\u5206\u65e0\u5e8f\u793a\u610f\u56fe\u3002\u5de6\uff1a\u6ca1\u6709\u6210\u5206\u65e0\u5e8f\u7684\u5b8c\u7f8e\u6676\u4f53\uff0c\u5177\u6709\u91cd\u590d\u7684\u5355\u4f4d\u6676\u80de\uff08\u9ed1\u8272\u865a\u7ebf\uff09\u3002\u53f3\uff1a\u5177\u6709\u6210\u5206\u65e0\u5e8f\u7684\u6676\u4f53\uff0c\u5176\u4e2d\u6bcf\u4e2a\u4f4d\u7f6e\u670950%\u7684\u6982\u7387\u4e3a\u9ec4\u8272\u548c\u9752\u8272\u539f\u5b50\u3002<\/figcaption><\/figure>\n\n\n\n<p>\u901a\u8fc7\u5f15\u5165\u4e00\u79cd\u8003\u8651\u4e86\u6210\u5206\u65e0\u5e8f\u7684\u65b0\u7684\u7ed3\u6784\u5339\u914d\u7b97\u6cd5\uff0c\u7814\u7a76\u5458\u4eec\u4e3a\u8be5\u95ee\u9898\u63d0\u4f9b\u4e86\u521d\u6b65\u7684\u89e3\u51b3\u65b9\u6848\u3002\u8be5\u7b97\u6cd5\u80fd\u591f\u8bc4\u4f30\u4e24\u4e2a\u7ed3\u6784\u662f\u5426\u53ef\u4ee5\u88ab\u8bc6\u522b\u4e3a\u6709\u5e8f\u7684\u8fd1\u4f3c\u540c\u4e00\u57fa\u7840\u6210\u5206\u65e0\u5e8f\u7ed3\u6784\uff0c\u4e3a\u6750\u6599\u7684\u65b0\u9896\u6027\u548c\u72ec\u7279\u6027\u63d0\u4f9b\u4e86\u65b0\u7684\u5b9a\u4e49\u3002\u76ee\u524d\u8be5\u65b9\u6cd5\u5df2\u5728\u8ba1\u7b97\u8bc4\u4f30\u6307\u6807\u4e2d\u91c7\u7528\uff0c\u5e76\u4f5c\u4e3a\u8bc4\u4f30\u5de5\u5177\u7684\u4e00\u90e8\u5206<a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/github.com\/microsoft\/mattergen?tab=readme-ov-file#evaluation\">\u516c\u5f00\u53d1\u5e03<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u5b9e\u9a8c\u5ba4\u9a8c\u8bc1\">\u5b9e\u9a8c\u5ba4\u9a8c\u8bc1<\/h2>\n\n\n\n<p>\u9664\u4e86\u5927\u91cf\u7684\u8ba1\u7b97\u8bc4\u4f30\uff0cMatterGen \u7684\u80fd\u529b\u8fd8\u901a\u8fc7\u5b9e\u9a8c\u5408\u6210\u5f97\u5230\u4e86\u9a8c\u8bc1\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4e0e\u4e2d\u56fd\u79d1\u5b66\u9662\u6df1\u5733\u5148\u8fdb\u6280\u672f\u7814\u7a76\u9662\u5408\u4f5c\u5408\u6210\u4e86\u4e00\u79cd\u65b0\u6750\u6599 TaCr2O6\uff0c\u5176\u7ed3\u6784\u662f\u901a\u8fc7 MatterGen \u5728\u7ed9\u5b9a200 GPa\u7684\u4f53\u79ef\u6a21\u91cf\u6761\u4ef6\u4e0b\u751f\u6210\u7684\u3002\u5408\u6210\u6750\u6599\u7684\u7ed3\u6784\u4e0e MatterGen \u63d0\u51fa\u7684\u7ed3\u6784\u4e00\u81f4\uff0c\u4f46\u5728 Ta \u548c Cr \u4e4b\u95f4\u5b58\u5728\u6210\u5206\u65e0\u5e8f\u3002<\/p>\n\n\n\n<p>\u6b64\u5916\uff0c\u901a\u8fc7\u5b9e\u9a8c\u6d4b\u5f97\u8be5\u6750\u6599\u7684\u4f53\u79ef\u6a21\u91cf\u4e3a169 GPa\uff0c\u76f8\u6bd4\u8bbe\u8ba1\u89c4\u683c\u4e2d\u7684200 GPa\uff0c\u8bef\u5dee\u4f4e\u4e8e20%\uff0c\u4ece\u5b9e\u9a8c\u89d2\u5ea6\u770b\u975e\u5e38\u63a5\u8fd1\u3002\u5982\u679c\u7c7b\u4f3c\u7684\u7ed3\u679c\u80fd\u591f\u63a8\u5e7f\u5230\u5176\u4ed6\u9886\u57df\uff0cMatterGen \u5c06\u5bf9\u7535\u6c60\u3001\u71c3\u6599\u7535\u6c60\u7b49\u6750\u6599\u7684\u8bbe\u8ba1\u4ea7\u751f\u6df1\u8fdc\u5f71\u54cd\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"685\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-1024x685.png\" alt=\"\u63d0\u51fa\u7684\u5316\u5408\u7269 TaCr2O6 \u7684\u5b9e\u9a8c\u9a8c\u8bc1\" class=\"wp-image-1123173\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-1024x685.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-300x201.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-768x514.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-1536x1028.png 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300-240x161.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2025\/01\/image-6790747d89300.png 1796w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe6\uff1a\u63d0\u51fa\u7684\u5316\u5408\u7269 TaCr2O6 \u7684\u5b9e\u9a8c\u9a8c\u8bc1<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"ai\u6a21\u62df\u5668\u548c\u751f\u6210\u5668\u98de\u8f6e\">AI\u6a21\u62df\u5668\u548c\u751f\u6210\u5668\u98de\u8f6e<\/h2>\n\n\n\n<p>MatterGen \u4e3a AI \u52a0\u901f\u6750\u6599\u8bbe\u8ba1\u63d0\u4f9b\u4e86\u65b0\u7684\u673a\u4f1a\uff0c\u540c\u65f6\u4e0e\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u6b64\u524d\u63d0\u51fa\u7684 AI \u6a21\u62df\u5668&nbsp;<a href=\"https:\/\/www.microsoft.com\/en-us\/research\/articles\/mattersim\/\" target=\"_blank\" rel=\"noreferrer noopener\">MatterSim<\/a>&nbsp;\u76f8\u5f97\u76ca\u5f70\u3002MatterSim \u9075\u5faa\u79d1\u5b66\u53d1\u73b0\u7684\u7b2c\u4e94\u8303\u5f0f\uff0c\u663e\u8457\u52a0\u901f\u4e86\u6750\u6599\u5c5e\u6027\u6a21\u62df\u7684\u901f\u5ea6\u3002\u800c MatterGen \u5219\u5728\u5c5e\u6027\u751f\u6210\u7684\u57fa\u7840\u4e0a\u52a0\u901f\u4e86\u65b0\u6750\u6599\u5019\u9009\u7684\u63a2\u7d22\u3002\u4e24\u8005\u534f\u540c\u4f5c\u7528\u65e2\u53ef\u4ee5\u52a0\u901f\u6750\u6599\u6a21\u62df\uff0c\u53c8\u80fd\u591f\u52a0\u901f\u65b0\u6750\u6599\u7684\u63a2\u7d22\uff0c\u4ece\u800c\u5f62\u6210\u98de\u8f6e\u6548\u5e94\u3002<\/p>\n\n\n\n<p>\u4e3a\u4e86\u6700\u5927\u7a0b\u5ea6\u5730\u63a8\u52a8\u6750\u6599\u8bbe\u8ba1\u7684\u5f71\u54cd\u529b\uff0c\u7814\u7a76\u5458\u4eec\u73b0\u5df2\u5c06 <a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/github.com\/microsoft\/mattergen\">MatterGen \u7684\u6e90\u4ee3\u7801<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\u4ee5 MIT \u8bb8\u53ef\u7684\u65b9\u5f0f\u53d1\u5e03\uff0c\u5e76\u516c\u5f00\u4e86\u8bad\u7ec3\u548c\u5fae\u8c03\u6570\u636e\uff0c\u4f9b\u793e\u533a\u4f7f\u7528\u548c\u8fdb\u4e00\u6b65\u5f00\u53d1\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u5c55\u671b\u672a\u6765\">\u5c55\u671b\u672a\u6765<\/h2>\n\n\n\n<p>\u5229\u7528\u751f\u6210\u5f0f AI \u6280\u672f\uff0cMatterGen \u5f00\u542f\u4e86\u6750\u6599\u8bbe\u8ba1\u7684\u65b0\u7bc7\u7ae0\u3002\u5b83\u63a2\u7d22\u4e86\u6bd4\u7b5b\u9009\u65b9\u6cd5\u66f4\u5e7f\u6cdb\u7684\u6750\u6599\u7a7a\u95f4\uff0c\u5e76\u901a\u8fc7\u6307\u4ee4\u9ad8\u6548\u63a8\u52a8\u4e86\u6750\u6599\u63a2\u7d22\u3002\u7c7b\u4f3c\u4e8e\u751f\u6210\u5f0f AI \u5bf9\u836f\u7269\u53d1\u73b0\u7684\u5f71\u54cd\uff0cMatterGen \u5c06\u5728\u7535\u6c60\u3001\u78c1\u94c1\u3001\u71c3\u6599\u7535\u6c60\u7b49\u5e7f\u6cdb\u9886\u57df\u4ea7\u751f\u6df1\u8fdc\u5f71\u54cd\u3002<\/p>\n\n\n\n<p>\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4e5f\u5c06\u7ee7\u7eed\u4e0e\u5408\u4f5c\u4f19\u4f34\u5c55\u5f00\u5408\u4f5c\uff0c\u8fdb\u4e00\u6b65\u5f00\u53d1\u3001\u9a8c\u8bc1\u8fd9\u9879\u6280\u672f\u3002\u201c\u5728\u7ea6\u7ff0\u970d\u666e\u91d1\u65af\u5927\u5b66\u5e94\u7528\u7269\u7406\u5b9e\u9a8c\u5ba4\uff08Johns Hopkins University Applied Physics Laboratory\uff0cAPL\uff09\uff0c\u6211\u4eec\u81f4\u529b\u4e8e\u63a2\u7d22\u80fd\u591f\u63a8\u52a8\u53d1\u73b0\u65b0\u578b\u7684\u3001\u4efb\u52a1\u9a71\u52a8\u7684\u6750\u6599\u6f5c\u529b\u7684\u5de5\u5177\u3002\u56e0\u6b64\uff0c\u6211\u4eec\u5bf9 MatterGen \u5728\u6750\u6599\u53d1\u73b0\u65b9\u9762\u7684\u5f71\u54cd\u5c24\u4e3a\u5173\u6ce8\uff0c\u201d \u8d1f\u8d23\u591a\u4e2a\u6750\u6599\u53d1\u73b0\u9879\u76ee\u7684 APL \u8ba1\u7b97\u6750\u6599\u79d1\u5b66\u5bb6 Christopher Stiles \u8868\u793a\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u7f16\u8005\u6309\uff1a\u8fd1\u65e5\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u63d0\u51fa\u4e86\u4e00\u79cd\u521b\u65b0\u7684\u751f\u6210\u5f0f AI \u6750\u6599\u8bbe\u8ba1\u5de5\u5177 MatterGen, \u7a81\u7834\u4e86\u4f20\u7edf\u6750\u6599\u7b5b\u9009\u65b9\u6cd5\u7684\u5c40\u9650\uff0c\u80fd\u591f\u5728\u66f4\u5e7f\u6cdb\u7684\u6750\u6599\u7a7a\u95f4\u4e2d\u8fdb\u884c\u9ad8\u6548\u63a2\u7d22\uff0c\u5e76\u6839\u636e\u5e94\u7528\u9700\u6c42\u76f4\u63a5\u751f\u6210\u65b0\u6750\u6599\u3002\u8be5\u6a21\u578b\u53ef\u4ee5\u9488\u5bf9\u6750\u6599\u7684\u7279\u6b8a\u51e0\u4f55\u7ed3\u6784\u8fdb\u884c\u4f18\u5316\uff0c\u5728\u5316\u5b66\u6210\u5206\u3001\u7269\u7406\u5c5e\u6027\u7b49\u591a\u65b9\u9762\u751f\u6210\u7a33\u5b9a\u7684\u65b0\u578b\u6750\u6599\uff0c\u5f00\u542f\u4e86\u57fa\u4e8e\u751f\u6210\u5f0f AI \u8f85\u52a9\u6750\u6599\u8bbe\u8ba1\u7684\u65b0\u8303\u5f0f\uff0c\u5e76\u5c06\u5bf9\u7535\u6c60\u3001\u78c1\u94c1\u7b49\u9886\u57df\u7684\u521b\u65b0\u4ea7\u751f\u6df1\u8fdc\u5f71\u54cd\u3002 \u6750\u6599\u521b\u65b0\u662f\u63a8\u52a8\u91cd\u5927\u6280\u672f\u7a81\u7834\u7684\u5173\u952e\u56e0\u7d20\u4e4b\u4e00\u300220\u4e16\u7eaa80\u5e74\u4ee3\u9502\u94b4\u6c27\u5316\u7269\u7684\u53d1\u73b0\u4e3a\u73b0\u5728\u7684\u9502\u79bb\u5b50\u7535\u6c60\u6280\u672f\u5960\u5b9a\u4e86\u57fa\u7840\u3002\u5982\u4eca\uff0c\u9502\u79bb\u5b50\u7535\u6c60\u4e3a\u73b0\u4ee3\u624b\u673a\u548c\u7535\u52a8\u6c7d\u8f66\u63d0\u4f9b\u52a8\u529b\uff0c\u5f71\u54cd\u7740\u6570\u5341\u4ebf\u4eba\u7684\u65e5\u5e38\u751f\u6d3b\u3002\u6750\u6599\u521b\u65b0\u540c\u6837\u662f\u8bbe\u8ba1\u66f4\u9ad8\u6548\u592a\u9633\u80fd\u7535\u6c60\u3001\u7528\u4e8e\u7535\u7f51\u7ea7\u80fd\u6e90\u5b58\u50a8\u7684\u4f4e\u6210\u672c\u7535\u6c60\uff0c\u4ee5\u53ca\u7528\u4e8e\u4ece\u5927\u6c14\u4e2d\u56de\u6536\u4e8c\u6c27\u5316\u78b3\u5438\u9644\u5242\u6240\u5fc5\u9700\u7684\u4e00\u73af\u3002 \u627e\u5230\u4e00\u79cd\u7b26\u5408\u7279\u5b9a\u9700\u6c42\u7684\u65b0\u6750\u6599\u5982\u540c\u5927\u6d77\u635e\u9488\u3002\u8fc7\u53bb\uff0c\u8fd9\u9879\u4efb\u52a1\u9700\u8981\u901a\u8fc7\u6602\u8d35\u4e14\u8017\u65f6\u7684\u5b9e\u9a8c\u8bd5\u9519\u6765\u5b8c\u6210\u3002\u8fd1\u5e74\u6765\uff0c\u8ba1\u7b97\u7b5b\u9009\u5927\u89c4\u6a21\u6750\u6599\u6570\u636e\u5e93\u52a0\u5feb\u4e86\u8fd9\u4e00\u8fc7\u7a0b\uff0c\u4f46\u4ecd\u9700\u8981\u7b5b\u9009\u6570\u767e\u4e07\u4e2a\u5019\u9009\u6750\u6599\u624d\u80fd\u627e\u5230\u5c11\u6570\u5408\u9002\u7684\u3002 \u5728\u9876\u7ea7\u79d1\u5b66\u6742\u5fd7\u300a\u81ea\u7136\u300b\uff08\u300aNature\u300b\uff09\u8fd1\u671f\u53d1\u8868\u7684\u8bba\u6587\u4e2d (opens in new tab)\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u7814\u7a76\u5458\u4eec\u63d0\u51fa\u4e86\u4e00\u4e2a\u4ece\u4e0d\u540c\u89d2\u5ea6\u89e3\u51b3\u6750\u6599\u53d1\u73b0\u95ee\u9898\u7684\u751f\u6210\u5f0f AI \u5de5\u5177 MatterGen\u3002\u4e0d\u540c\u4e8e\u7b5b\u9009\u5019\u9009\u6750\u6599\uff0cMatterGen \u76f4\u63a5\u6839\u636e\u5e94\u7528\u9700\u6c42\u7684\u8bbe\u8ba1\u8981\u6c42\u751f\u6210\u65b0\u7684\u6750\u6599\uff0c\u53ef\u4ee5\u751f\u6210\u5177\u6709\u6240\u9700\u5316\u5b66\u3001\u673a\u68b0\u3001\u7535\u5b50\u6216\u78c1\u6027\u5c5e\u6027\uff0c\u4ee5\u53ca\u6ee1\u8db3\u4e0d\u540c\u7ea6\u675f\u6761\u4ef6\u7684\u6750\u6599\u3002MatterGen \u5f00\u542f\u4e86\u4e00\u79cd\u57fa\u4e8e\u751f\u6210\u5f0f AI \u8f85\u52a9\u6750\u6599\u8bbe\u8ba1\u7684\u65b0\u8303\u5f0f\uff0c\u80fd\u591f\u9ad8\u6548\u63a2\u7d22\u6750\u6599\uff0c\u8fdb\u800c\u8d85\u8d8a\u5df2\u77e5\u7684\u6750\u6599\u8303\u56f4\u3002 \u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41586-025-08628-5 (opens in new tab) GitHub \u94fe\u63a5\uff1ahttps:\/\/github.com\/microsoft\/mattergen (opens in new tab) \u4f5c\u4e3a\u4e00\u4e2a\u57fa\u4e8e\u6750\u6599\u4e09\u7ef4\u51e0\u4f55\u7ed3\u6784\u7684\u6269\u6563\u6a21\u578b\uff0cMatterGen \u53ef\u4ee5\u901a\u8fc7\u8c03\u6574\u968f\u673a\u7ed3\u6784\u4e2d\u7684\u5143\u7d20\u3001\u4f4d\u7f6e\u548c\u5468\u671f\u6027\u6676\u683c\u6765\u751f\u6210\u6240\u9700\u7684\u6750\u6599\u7ed3\u6784\uff0c\u8fd9\u7c7b\u4f3c\u4e8e\u56fe\u50cf\u6269\u6563\u6a21\u578b\u6839\u636e\u6587\u672c\u63d0\u793a\u4fee\u6539\u566a\u58f0\u56fe\u50cf\u50cf\u7d20\u989c\u8272\u6765\u751f\u6210\u56fe\u7247\u3002\u8be5\u6269\u6563\u67b6\u6784\u4e13\u4e3a\u6750\u6599\u8bbe\u8ba1\uff0c\u65e8\u5728\u89e3\u51b3\u5468\u671f\u6027\u548c\u4e09\u7ef4\u51e0\u4f55\u7b49\u7279\u6b8a\u6027\u8d28\u95ee\u9898\u3002 MatterGen \u7684\u57fa\u7840\u6a21\u578b\u5728\u751f\u6210\u65b0\u9896\u3001\u7a33\u5b9a\u4e14\u591a\u6837\u5316\u7684\u6750\u6599\u65b9\u9762\u5df2\u8fbe\u5230\u9886\u5148\u6c34\u5e73\uff08\u5982\u56fe2\u6240\u793a\uff09\u3002\u8be5\u6a21\u578b\u5229\u7528\u6765\u81ea Materials Project (opens in new tab)\uff08MP\uff09\u548c Alexandria (opens in new tab)\uff08Alex\uff09\u6570\u636e\u5e93\u7684608,000\u79cd\u7a33\u5b9a\u6750\u6599\u8fdb\u884c\u8bad\u7ec3\u3002\u5176\u6027\u80fd\u7684\u63d0\u5347\u5f97\u76ca\u4e8e\u67b6\u6784\u7684\u4f18\u5316\u4ee5\u53ca\u9ad8\u8d28\u91cf\u3001\u5927\u89c4\u6a21\u7684\u8bad\u7ec3\u6570\u636e\u3002 MatterGen \u8fd8\u53ef\u4ee5\u901a\u8fc7\u6807\u6ce8\u6570\u636e\u96c6\u8fdb\u884c\u5fae\u8c03\uff0c\u5728\u7ed9\u5b9a\u4efb\u4f55\u6240\u9700\u6761\u4ef6\u7684\u60c5\u51b5\u4e0b\u751f\u6210\u65b0\u6750\u6599\u3002\u56fe3\u5c55\u793a\u4e86\u5728\u7ed9\u5b9a\u76ee\u6807\u7684\u5316\u5b66\u6210\u5206\u548c\u5bf9\u79f0\u6027\u7ea6\u675f\uff0c\u4ee5\u53ca\u7535\u5b50\u3001\u78c1\u6027\u548c\u673a\u68b0\u5c5e\u6027\u9650\u5236\u7684\u60c5\u51b5\u4e0b\uff0c\u751f\u6210\u65b0\u6750\u6599\u7684\u793a\u4f8b\u3002 MatterGen \u76f8\u5bf9\u4e8e\u7b5b\u9009\u65b9\u6cd5\u7684\u4e3b\u8981\u4f18\u52bf\u5728\u4e8e\u5176\u80fd\u591f\u8bbf\u95ee\u672a\u77e5\u6750\u6599\u7684\u5b8c\u6574\u7a7a\u95f4\u3002\u5982\u56fe4\u6240\u793a\uff0cMatterGen \u5728\u751f\u6210\u96be\u4ee5\u88ab\u538b\u7f29\u7684\u5177\u6709\u8f83\u9ad8\u4f53\u79ef\u6a21\u91cf\uff08\u5982\u5927\u4e8e400 GPa\uff09\u7684\u65b0\u5019\u9009\u6750\u6599\u65b9\u9762\u8868\u73b0\u4f18\u5f02\u3002\u76f8\u6bd4\u4e4b\u4e0b\uff0c\u7b5b\u9009\u57fa\u51c6\u65b9\u6cd5\u53d7\u9650\u4e8e\u5df2\u77e5\u6750\u6599\u800c\u8d8b\u4e8e\u9971\u548c\u3002 \u6210\u5206\u65e0\u5e8f\u662f\u4e00\u4e2a\u5e38\u89c1\u73b0\u8c61\uff0c\u6307\u7684\u662f\u4e0d\u540c\u7684\u539f\u5b50\u53ef\u4ee5\u5728\u5408\u6210\u6750\u6599\u4e2d\u968f\u673a\u4ea4\u6362\u5b83\u4eec\u7684\u6676\u4f53\u5b66\u4f4d\u7f6e\u3002\u8fd1\u5e74\u6765\uff0c\u793e\u533a\u6301\u7eed\u63a2\u7d22\u5728\u8ba1\u7b97\u8bbe\u8ba1\u6750\u6599\u7684\u80cc\u666f\u4e0b\uff0c\u4ec0\u4e48\u624d\u7b97\u662f\u65b0\u9896\u7684\u6750\u6599\uff0c\u56e0\u4e3a\u5e7f\u6cdb\u4f7f\u7528\u7684\u7b97\u6cd5\u65e0\u6cd5\u533a\u5206\u76f8\u4f3c\u5143\u7d20\u4ec5\u5728\u6392\u5217\u4e0a\u6709\u6240\u4e0d\u540c\u7684\u4e24\u79cd\u7ed3\u6784\u3002 \u901a\u8fc7\u5f15\u5165\u4e00\u79cd\u8003\u8651\u4e86\u6210\u5206\u65e0\u5e8f\u7684\u65b0\u7684\u7ed3\u6784\u5339\u914d\u7b97\u6cd5\uff0c\u7814\u7a76\u5458\u4eec\u4e3a\u8be5\u95ee\u9898\u63d0\u4f9b\u4e86\u521d\u6b65\u7684\u89e3\u51b3\u65b9\u6848\u3002\u8be5\u7b97\u6cd5\u80fd\u591f\u8bc4\u4f30\u4e24\u4e2a\u7ed3\u6784\u662f\u5426\u53ef\u4ee5\u88ab\u8bc6\u522b\u4e3a\u6709\u5e8f\u7684\u8fd1\u4f3c\u540c\u4e00\u57fa\u7840\u6210\u5206\u65e0\u5e8f\u7ed3\u6784\uff0c\u4e3a\u6750\u6599\u7684\u65b0\u9896\u6027\u548c\u72ec\u7279\u6027\u63d0\u4f9b\u4e86\u65b0\u7684\u5b9a\u4e49\u3002\u76ee\u524d\u8be5\u65b9\u6cd5\u5df2\u5728\u8ba1\u7b97\u8bc4\u4f30\u6307\u6807\u4e2d\u91c7\u7528\uff0c\u5e76\u4f5c\u4e3a\u8bc4\u4f30\u5de5\u5177\u7684\u4e00\u90e8\u5206\u516c\u5f00\u53d1\u5e03 [&hellip;]<\/p>\n","protected":false},"author":34512,"featured_media":1123179,"template":"","meta":{"msr-url-field":"","msr-podcast-episode":"","msrModifiedDate":"","msrModifiedDateEnabled":false,"ep_exclude_from_search":false,"_classifai_error":"","msr-content-parent":1012650,"msr_hide_image_in_river":null,"footnotes":""},"research-area":[13556],"msr-locale":[268881],"msr-post-option":[],"class_list":["post-1123149","msr-blog-post","type-msr-blog-post","status-publish","has-post-thumbnail","hentry","msr-research-area-artificial-intelligence","msr-locale-zh_cn"],"msr_assoc_parent":{"id":1012650,"type":"lab"},"_links":{"self":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1123149","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post"}],"about":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/types\/msr-blog-post"}],"author":[{"embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/users\/34512"}],"version-history":[{"count":5,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1123149\/revisions"}],"predecessor-version":[{"id":1123197,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1123149\/revisions\/1123197"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/media\/1123179"}],"wp:attachment":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/media?parent=1123149"}],"wp:term":[{"taxonomy":"msr-research-area","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/research-area?post=1123149"},{"taxonomy":"msr-locale","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-locale?post=1123149"},{"taxonomy":"msr-post-option","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-post-option?post=1123149"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}