{"id":1943,"date":"2026-11-01T06:00:00","date_gmt":"2026-10-31T21:00:00","guid":{"rendered":"https:\/\/quantumsea.net\/?p=1943"},"modified":"2026-10-31T14:28:35","modified_gmt":"2026-10-31T05:28:35","slug":"qs-mattergen-local-electrons-20261031","status":"publish","type":"post","link":"https:\/\/quantumsea.net\/?p=1943","title":{"rendered":"\u6771\u5927\u306eMatterGen-e\u207b\u3001\u7d50\u6676\u3068\u96fb\u5b50\u60c5\u5831\u3092\u540c\u6642\u306b\u3064\u304f\u308b\u6750\u6599\u306e\u9006\u8a2d\u8a08"},"content":{"rendered":"<p>\u300c\u3053\u306e\u6027\u8cea\u3092\u6301\u3064\u6750\u6599\u304c\u6b32\u3057\u3044\u300d\u3068\u6307\u5b9a\u3059\u308b\u3068\u3001AI\u304c\u539f\u5b50\u306e\u7a2e\u985e\u3068\u4e26\u3073\u65b9\u3092\u63d0\u6848\u3059\u308b\u3002\u6750\u6599\u306e\u9006\u8a2d\u8a08\u306f\u3001\u5019\u88dc\u3092\u4e00\u3064\u305a\u3064\u8abf\u3079\u308b\u63a2\u7d22\u3092\u5909\u3048\u308b\u65b9\u6cd5\u3068\u3057\u3066\u7814\u7a76\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u305f\u3060\u3057\u3001\u72d9\u3063\u305f\u6027\u8cea\u306b\u8fd1\u3044\u69cb\u9020\u304c\u51fa\u3066\u3082\u3001\u5b89\u5b9a\u3057\u305f\u6750\u6599\u3068\u3057\u3066\u6210\u7acb\u3059\u308b\u3068\u306f\u9650\u308a\u307e\u305b\u3093\u3002<\/p>\n<p>\u6771\u4eac\u5927\u5b66\u306e\u7814\u7a76\u30b0\u30eb\u30fc\u30d7\u306f2026\u5e7410\u670815\u65e5\u3001\u7d50\u6676\u69cb\u9020\u3068\u5404\u539f\u5b50\u307e\u308f\u308a\u306e\u96fb\u5b50\u60c5\u5831\u3092\u4e00\u7dd2\u306b\u751f\u6210\u3059\u308b\u300cMatterGen-e\u207b\u300d\u3092\u767a\u8868\u3057\u307e\u3057\u305f\u3002Microsoft 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eV\u300d\u3068\u3044\u3063\u305f\u6761\u4ef6\u3092\u4e0e\u3048\u3001\u76ee\u7684\u306b\u8fd1\u3044\u69cb\u9020\u3092\u751f\u6210\u3059\u308b\u306e\u304c\u9006\u8a2d\u8a08\u3067\u3059\u3002\u30d0\u30f3\u30c9\u30ae\u30e3\u30c3\u30d7\u306f\u3001\u96fb\u5b50\u304c\u5360\u3081\u308b\u72b6\u614b\u3068\u7a7a\u3044\u3066\u3044\u308b\u72b6\u614b\u306e\u9593\u306b\u3042\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u9694\u305f\u308a\u3067\u3001\u534a\u5c0e\u4f53\u306e\u5149\u3084\u96fb\u6c17\u3078\u306e\u5fdc\u7b54\u306b\u95a2\u308f\u308a\u307e\u3059\u3002<\/p>\n<p>\u539f\u5b50\u306e\u4e26\u3073\u65b9\u3068\u96fb\u5b50\u306e\u72b6\u614b\u306f\u7d50\u3073\u4ed8\u3044\u3066\u3044\u307e\u3059\u304c\u3001\u9650\u3089\u308c\u305f\u30c7\u30fc\u30bf\u304b\u3089\u3001\u305d\u306e\u95a2\u4fc2\u307e\u3067AI\u306b\u5b66\u3070\u305b\u308b\u306e\u306f\u7c21\u5358\u3067\u306f\u3042\u308a\u307e\u305b\u3093\u3002\u4eca\u56de\u306e\u30e2\u30c7\u30eb\u306f\u3001\u7d50\u6676\u69cb\u9020\u3092\u751f\u6210\u3057\u305f\u5f8c\u3067\u96fb\u5b50\u60c5\u5831\u3092\u4e88\u6e2c\u3059\u308b\u3060\u3051\u3067\u306a\u304f\u3001\u30ce\u30a4\u30ba\u304b\u3089\u69cb\u9020\u3092\u7d44\u307f\u7acb\u3066\u3066\u3044\u304f\u5404\u6bb5\u968e\u3067\u3001\u5c40\u6240\u7684\u306a\u96fb\u5b50\u60c5\u5831\u3082\u4e00\u7dd2\u306b\u66f4\u65b0\u3057\u307e\u3059\u3002\u540c\u3058\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u3092\u901a\u3057\u3066\u60c5\u5831\u3092\u3084\u308a\u53d6\u308a\u3055\u305b\u308b\u3053\u3068\u3067\u3001\u69cb\u9020\u3068\u96fb\u5b50\u72b6\u614b\u306e\u95a2\u4fc2\u3092\u5b66\u7fd2\u3055\u305b\u308b\u8a2d\u8a08\u3067\u3059\u3002<\/p>\n<p>\u7814\u7a76\u3067\u306f\u3001\u96fb\u5b50\u60c5\u5831\u3068\u3057\u3066\u4e8c\u3064\u306e\u8868\u73fe\u3092\u6bd4\u8f03\u3057\u307e\u3057\u305f\u3002\u4e21\u65b9\u3092\u5fc5\u305a\u4e00\u5ea6\u306b\u4f7f\u3046\u3068\u3044\u3046\u610f\u5473\u3067\u306f\u3042\u308a\u307e\u305b\u3093\u3002<\/p>\n<table>\n<thead>\n<tr>\n<th>\u96fb\u5b50\u60c5\u5831<\/th>\n<th>\u8868\u3057\u3066\u3044\u308b\u3082\u306e<\/th>\n<th>\u30e2\u30c7\u30eb\u3067\u306e\u6271\u3044<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr>\n<td>Bader\u96fb\u8377<\/td>\n<td>\u96fb\u5b50\u5bc6\u5ea6\u3092\u539f\u5b50\u3054\u3068\u306e\u9818\u57df\u306b\u5206\u3051\u3066\u5f97\u308b\u3001\u5c40\u6240\u7684\u306a\u96fb\u8377\u306e\u6307\u6a19<\/td>\n<td>\u539f\u5b50\u3054\u3068\u306b\u4e00\u3064\u306e\u6570\u5024<\/td>\n<\/tr>\n<tr>\n<td>\u539f\u5b50\u5206\u89e3\u72b6\u614b\u5bc6\u5ea6\uff08atomic DOS\uff09<\/td>\n<td>\u5404\u539f\u5b50\u306e\u307e\u308f\u308a\u3067\u3001\u96fb\u5b50\u304c\u5165\u308a\u3046\u308b\u72b6\u614b\u304c\u30a8\u30cd\u30eb\u30ae\u30fc\u3054\u3068\u306b\u3069\u308c\u3060\u3051\u3042\u308b\u304b<\/td>\n<td>512\u70b9\u306e\u5206\u5e03\u309230\u6b21\u5143\u306b\u5727\u7e2e\u3057\u3066\u751f\u6210\u3057\u3001\u5206\u5e03\u3078\u623b\u3059<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>\u72b6\u614b\u5bc6\u5ea6\u306f\u3001\u5b9f\u969b\u306b\u96fb\u5b50\u304c\u4f55\u500b\u5165\u3063\u3066\u3044\u308b\u304b\u3060\u3051\u3092\u793a\u3059\u3082\u306e\u3067\u306f\u3042\u308a\u307e\u305b\u3093\u3002\u7a7a\u3044\u3066\u3044\u308b\u72b6\u614b\u3082\u542b\u3080\u305f\u3081\u3001\u96fb\u8377\u3068\u306f\u9055\u3046\u60c5\u5831\u3092\u4f1d\u3048\u307e\u3059\u3002\u3053\u306e\u9055\u3044\u304c\u3001\u3069\u306e\u7269\u6027\u6761\u4ef6\u3067\u5019\u88dc\u304c\u6539\u5584\u3059\u308b\u304b\u3092\u6bd4\u8f03\u3059\u308b\u624b\u639b\u304b\u308a\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<h2>0.9%\u304b\u30893.5%\u3078\u2015\u2015\u4f55\u3092\u6210\u529f\u3068\u6570\u3048\u305f\u306e\u304b<\/h2>\n<p>\u8ad6\u6587\u3067\u306f\u3001\u30e2\u30c7\u30eb\u3068\u6761\u4ef6\u306e\u7d44\u307f\u5408\u308f\u305b\u3054\u3068\u306b1,024\u500b\u306e\u69cb\u9020\u3092\u751f\u6210\u3057\u3001\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\uff08DFT\uff09\u306b\u3088\u308b\u8a08\u7b97\u3067\u69cb\u9020\u3092\u7de9\u548c\u3057\u3066\u8a55\u4fa1\u3057\u3066\u3044\u307e\u3059\u3002\u7de9\u548c\u3068\u306f\u3001\u539f\u5b50\u306b\u50cd\u304f\u529b\u306a\u3069\u3092\u3082\u3068\u306b\u914d\u7f6e\u3092\u8abf\u6574\u3059\u308b\u8a08\u7b97\u3067\u3059\u3002<\/p>\n<p>\u4f8b\u3048\u3070\u3001\u30d0\u30f3\u30c9\u30ae\u30e3\u30c3\u30d73 eV\u3068\u751f\u6210\u30a8\u30cd\u30eb\u30ae\u30fc\u22124 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href=\"https:\/\/cyclewave.net\/?p=185\">Microsoft\u306e\u696d\u52d9\u30bd\u30d5\u30c8\u30fbAzure\u30fbWindows\u306e\u4e8b\u696d\u89e3\u8aac<\/a>\u3082\u53c2\u7167\u3067\u304d\u307e\u3059\u3002\u4f01\u696d\u5168\u4f53\u306e\u8aac\u660e\u3068\u3001\u4eca\u56de\u306e\u6771\u5927\u306b\u3088\u308b\u6750\u6599\u751f\u6210\u30e2\u30c7\u30eb\u306e\u7814\u7a76\u6210\u679c\u306f\u5206\u3051\u3066\u8aad\u3080\u3068\u3001\u958b\u767a\u4e3b\u4f53\u3092\u628a\u63e1\u3057\u3084\u3059\u304f\u306a\u308a\u307e\u3059\u3002<\/p>\n<h2>\u51fa\u5178<\/h2>\n<ul>\n<li>Okuda\u3001Takahara\u3001Mizoguchi\u300c<a href=\"https:\/\/www.nature.com\/articles\/s41524-026-02322-4\">Inverse Materials Design via Joint Generation of Crystal Structures and Local Electronic Descriptors<\/a>\u300dnpj Computational Materials\u30012026\u5e7410\u670815\u65e5\u3002Results\u3001Methods\u3001Table 1\u3001Discussion\u3002<\/li>\n<li>\u6771\u4eac\u5927\u5b66\u751f\u7523\u6280\u8853\u7814\u7a76\u6240\u300c<a 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