{"id":7584,"date":"2026-10-21T10:41:00","date_gmt":"2026-10-21T01:41:00","guid":{"rendered":"https:\/\/matlantis.com\/ja\/?post_type=pfnblog&#038;p=7584"},"modified":"2026-10-21T14:55:24","modified_gmt":"2026-10-21T05:55:24","slug":"autonomous-labs-atomistic-simulation","status":"publish","type":"pfnblog","link":"https:\/\/matlantis.com\/ja\/resources\/blog\/autonomous-labs-atomistic-simulation\/","title":{"rendered":"The Lab Is (Not) All You Need\u2015\u2015 \u81ea\u5f8b\u578b\u30e9\u30dc\u306f\u306a\u305c\u3001\u539f\u5b50\u30ec\u30d9\u30eb\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u4fa1\u5024\u3092\u4e0b\u3052\u308b\u306e\u3067\u306f\u306a\u304f\u3001\u9ad8\u3081\u308b\u306e\u304b"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\"><strong>1. \u30e9\u30dc\u306f\u52a0\u901f\u3057\u3066\u3044\u308b<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u5348\u524d3\u6642\u306e\u5b9f\u9a13\u5ba4\u3092\u60f3\u50cf\u3057\u3066\u307f\u3066\u304f\u3060\u3055\u3044\u3002\u7167\u660e\u306f\u3064\u3044\u3066\u3044\u308b\u306e\u306b\u3001\u8ab0\u3082\u3044\u307e\u305b\u3093\u3002\u30ed\u30dc\u30c3\u30c8\u30a2\u30fc\u30e0\u304c\u7089\u304b\u3089\u308b\u3064\u307c\u3092\u53d6\u308a\u51fa\u3057\u3001X\u7dda\u56de\u6298\u88c5\u7f6e\u3078\u3068\u904b\u3093\u3067\u3044\u304d\u307e\u3059\u3002\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u304c\u56de\u6298\u30d1\u30bf\u30fc\u30f3\u3092\u8aad\u307f\u53d6\u308a\u3001\u4eca\u56de\u306e\u8a66\u884c\u306f\u72d9\u3044\u3092\u5916\u3057\u305f\u3068\u5224\u65ad\u3059\u308b\u3068\u3001\u30ec\u30b7\u30d4\u3092\u8abf\u6574\u3057\u3066\u6b21\u306e\u8a66\u884c\u3092\u30ad\u30e5\u30fc\u306b\u5165\u308c\u307e\u3059\u3002\u671d\u306b\u306a\u308b\u9803\u306b\u306f\u3001\u3053\u306e\u30b7\u30b9\u30c6\u30e0\u306f\u5927\u5b66\u9662\u751f\u304c1\u304b\u6708\u304b\u3051\u3066\u3053\u306a\u3059\u4ee5\u4e0a\u306e\u5b9f\u9a13\u30b5\u30a4\u30af\u30eb\u3092\u56de\u3057\u7d42\u3048\u3066\u3044\u307e\u3059\u3002\u3057\u304b\u3082\u3001\u30b3\u30fc\u30d2\u30fc\u4f11\u61a9\u3082\u3001\u3068\u304d\u3069\u304d\u8972\u3063\u3066\u304f\u308b\u300c\u81ea\u5206\u306f\u4f55\u306e\u305f\u3081\u306b\u7814\u7a76\u3057\u3066\u3044\u308b\u3093\u3060\u308d\u3046\u300d\u3068\u3044\u3046\u8ff7\u3044\u3082\u306a\u3057\u306b\u3002\u3053\u308c\u304c\u81ea\u5f8b\u578b\u30e9\u30dc\uff08autonomous laboratory\u3001\u307e\u305f\u306fself-driving lab\uff09\u3067\u3059\u3002\u5b9f\u9a13\u3092\u8a08\u753b\u3057\u3001\u5b9f\u884c\u3057\u3001\u7d50\u679c\u3092\u8aad\u307f\u53d6\u308a\u3001\u6b21\u306b\u4f55\u3092\u8a66\u3059\u304b\u3092\u6c7a\u3081\u308b\u3002\u3053\u306e\u4e00\u9023\u306e\u30b5\u30a4\u30af\u30eb\u3092\u3001\u4eba\u304c\u307b\u3068\u3093\u3069\u3001\u3042\u308b\u3044\u306f\u307e\u3063\u305f\u304f\u95a2\u308f\u3089\u305a\u306b\u56de\u3057\u7d9a\u3051\u308b\u30b7\u30b9\u30c6\u30e0\u3067\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"559\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/body_lab_scene_logo-blurred-1024x559.jpg\" alt=\"\" class=\"wp-image-7585\"\/><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\">\u79c1\u304c\u30dd\u30b9\u30c9\u30af\u3060\u3063\u305f\u9803\u3001\u3053\u3046\u3057\u305f\u5922\u306f\u8ab0\u304b\u306e\u57fa\u8abf\u8b1b\u6f14\u306e\u6700\u5f8c\u306e\u30b9\u30e9\u30a4\u30c9\uff08\u300c\u3053\u306e\u5206\u91ce\u304c\u3044\u3064\u304b\u5411\u304b\u3046\u304b\u3082\u3057\u308c\u306a\u3044\u672a\u6765\u300d\u3092\u8a9e\u308b\u3001\u3042\u306e\u30b9\u30e9\u30a4\u30c9\u3067\u3059\uff09\u306b\u3057\u304b\u5b58\u5728\u3057\u307e\u305b\u3093\u3067\u3057\u305f\u3002\u305d\u308c\u304c\u4eca\u3067\u306f\u3001Nature\u3084Science\u306e\u8ad6\u6587\u306b\u3001\u5b9f\u969b\u306b\u4f7f\u308f\u308c\u305f\u624b\u6cd5\u3068\u3057\u3066\u5f53\u305f\u308a\u524d\u306e\u3088\u3046\u306b\u767b\u5834\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3046\u3057\u305f\u30a2\u30d7\u30ed\u30fc\u30c1\u304c\u6210\u719f\u3059\u308b\u306b\u3064\u308c\u3001\u8cc7\u91d1\u3082\u96c6\u307e\u308b\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u30022026\u5e747\u6708\u3001U.S. National Science Foundation\uff08NSF\uff09\u306f\u3001AI\u3067\u30d7\u30ed\u30b0\u30e9\u30e0\u53ef\u80fd\u306a\u30af\u30e9\u30a6\u30c9\u30e9\u30dc\u306e\u5168\u7c73\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u306b4\u5104\u30c9\u30eb\u3092\u6295\u3058\u307e\u3057\u305f\u3002\u3053\u308c\u306f\u3001\u3069\u3053\u306b\u3044\u308b\u7814\u7a76\u8005\u3067\u3082\u81ea\u5206\u306e\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3067\u9060\u9694\u64cd\u4f5c\u3067\u304d\u308b\u65bd\u8a2d\u3067\u3059\uff08<a href=\"https:\/\/news.vt.edu\/articles\/2026\/08\/NSF-grant-semiconductor-lab.html\" rel=\"nofollow noopener\" target=\"_blank\">\u5b9f\u306f\u3001Matlantis\u3082\u305d\u306e\u3072\u3068\u3064\u306b\u30d1\u30fc\u30c8\u30ca\u30fc\u3068\u3057\u3066\u53c2\u52a0\u3057\u3066\u3044\u307e\u3059<\/a>\uff09\u3002Department of Energy\uff08DOE\uff09\u3082Genesis Mission\u306b2\u51049,300\u4e07\u30c9\u30eb\u3092\u6295\u3058\u308b\u3068\u767a\u8868\u3057\u3066\u304a\u308a\uff08\u9023\u90a6\u653f\u5e9c\u5168\u4f53\u306e\u62e0\u51fa\u8868\u660e\u984d\u306f50\u5104\u30c9\u30eb\u8fd1\u304f\u306b\u306e\u307c\u308a\u307e\u3059\uff09\u3001\u6700\u521d\u306b\u9078\u3070\u308c\u305f\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u306b\u306f\u3001\u30c7\u30b8\u30bf\u30eb\u30c4\u30a4\u30f3\u3084\u30af\u30ed\u30fc\u30ba\u30c9\u30eb\u30fc\u30d7\u3092\u63b2\u3052\u305f\u3082\u306e\u304c\u305a\u3089\u308a\u3068\u4e26\u3093\u3067\u3044\u307e\u3059\u3002\u6c11\u9593\u8cc7\u672c\u3082\u540c\u3058\u65b9\u5411\u306b\u6d41\u308c\u3066\u304a\u308a\u3001\u5148\u7aef\u6750\u6599\u30b9\u30bf\u30fc\u30c8\u30a2\u30c3\u30d7\u306e\u4e2d\u306b\u306f\u3001\u9023\u90a6\u653f\u5e9c\u306e\u52a9\u6210\u91d1\u3067\u3059\u3089\u8aa4\u5dee\u306e\u7bc4\u56f2\u306b\u898b\u3048\u308b\u307b\u3069\u306e\u8cc7\u91d1\u3092\u8abf\u9054\u3059\u308b\u3068\u3053\u308d\u3082\u51fa\u3066\u304d\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p 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class=\"wp-block-paragraph\">\u3053\u3053\u6570\u5e74\u3067\u6700\u3082\u6210\u529f\u3057\u305f\u53d6\u308a\u7d44\u307f\u306e\u3044\u304f\u3064\u304b\u306f\u3001\u307e\u3055\u306b\u3053\u306e\u5f62\u3067\u7d44\u307f\u7acb\u3066\u3089\u308c\u3066\u3044\u307e\u3059\u3002Microsoft\u3068Pacific Northwest National Laboratory\u306e\u5171\u540c\u7814\u7a76\u3067\u306f\u30013,200\u4e07\u306e\u96fb\u6c60\u6750\u6599\u5019\u88dc\u304c\u7d0480\u6642\u9593\u306e\u8a08\u7b97\u306720\u6570\u500b\u306b\u307e\u3067\u7d5e\u308a\u8fbc\u307e\u308c\u3001\u305d\u306e\u3046\u3061\u306e\u3072\u3068\u3064\u304c\u5b9f\u969b\u306b\u5408\u6210\u3055\u308c\u3066\u3001\u52d5\u4f5c\u3059\u308b\u5168\u56fa\u4f53\u96fb\u6c60\u306e\u30d7\u30ed\u30c8\u30bf\u30a4\u30d7\u306b\u306a\u308a\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Berkeley 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hull\uff09\u304b\u3089\u306e\u8ddd\u96e2\u306a\u3069\u3067\u3059\u3002\u4ee3\u7406\u6307\u6a19\u304c\u30de\u30af\u30ed\u306a\u89b3\u6e2c\u91cf\u3092\u3069\u3053\u307e\u3067\u3046\u307e\u304f\u4ee3\u5f01\u3067\u304d\u308b\u304b\u306f\u3001\u554f\u984c\u3054\u3068\u306b\u5927\u304d\u304f\u7570\u306a\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Meta\u306eOpen Catalyst Experiments 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class=\"wp-block-paragraph\">\u3053\u306e\u7a2e\u306e\u89e3\u6790\u304c\u5b9f\u969b\u306b\u3069\u306e\u3088\u3046\u306a\u3082\u306e\u304b\u3092\u898b\u3066\u307f\u305f\u3044\u65b9\u306e\u305f\u3081\u306b\u3001\u30e1\u30bf\u30ce\u30fc\u30eb\u5408\u6210\u89e6\u5a92\u306b\u95a2\u3059\u308b\u30b1\u30fc\u30b9\u30b9\u30bf\u30c7\u30a3\u3092\u307e\u3068\u3081\u3066\u3042\u308a\u307e\u3059<a href=\"#ref3\">[3]<\/a>\u3002\u4e2d\u9593\u4f53\u306eIR\u30b9\u30da\u30af\u30c8\u30eb\u3092\u8a08\u7b97\u3057\u3066in-situ DRIFT\u3068\u7167\u5408\u3059\u308b\u3053\u3068\u3067\u3001\u8868\u9762\u306b\u5b9f\u969b\u306b\u4f55\u304c\u5b58\u5728\u3059\u308b\u306e\u304b\u3092\u7279\u5b9a\u3057\u307e\u3057\u305f\u3002\u305d\u3057\u3066\u3001\u305d\u306e\u540c\u3058\u69cb\u9020\u50cf\u3092\u3082\u3068\u306b\u3001\u5b89\u5b9a\u6027\u3068\u6d3b\u6027\u306e\u89b3\u70b9\u304b\u3089\u30c9\u30fc\u30d1\u30f3\u30c8\u306e\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3092\u884c\u3044\u3001\u30e9\u30dc\u3067\u691c\u8a3c\u3057\u307e\u3057\u305f\u3002\u9078\u3070\u308c\u305f\u5e0c\u571f\u985e\u30c9\u30fc\u30d7\u89e6\u5a92\u306f\u3001360 \u00b0C\u3067\u30e1\u30bf\u30ce\u30fc\u30eb\u53ce\u7387\u3092\u6700\u592728%\u5411\u4e0a\u3055\u305b\u3001\u540c\u6642\u306bCO\u526f\u53cd\u5fdc\u3092\u6291\u5236\u3057\u307e\u3057\u305f\u3002\u3053\u306e\u4e8b\u4f8b\u304b\u3089\u5206\u304b\u308b\u306e\u306f\u3001\uff08\u524d\u8ff0\u306eOCx24\u3068\u540c\u69d8\u306b\uff09\u3072\u3068\u3064\u306e\u7406\u60f3\u5316\u3055\u308c\u305f\u30b9\u30e9\u30d6\u30e2\u30c7\u30eb\u3067\u306f\u3001\u30b9\u30da\u30af\u30c8\u30eb\u3092\u518d\u73fe\u3059\u308b\u3053\u3068\u3082\u3001\u6d3b\u6027\u306a\u30c9\u30fc\u30d1\u30f3\u30c8\u3068\u4e0d\u6d3b\u6027\u306a\u30c9\u30fc\u30d1\u30f3\u30c8\u3092\u533a\u5225\u3059\u308b\u3053\u3068\u3082\u3067\u304d\u306a\u304b\u3063\u305f\u3068\u3044\u3046\u70b9\u3067\u3059\u3002\u3057\u304b\u3057\u3001\u73fe\u5b9f\u7684\u306a\u8868\u9762\u69cb\u9020\u3092\u5e45\u5e83\u304f\u7d44\u307f\u5408\u308f\u305b\u308b\u3053\u3068\u3067\u3001\u305d\u308c\u304c\u53ef\u80fd\u3068\u306a\u308a\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3046\u3057\u305f\u9ad8\u901f\u3067\u7269\u7406\u306b\u57fa\u3065\u3044\u305f\u30c1\u30a7\u30c3\u30af\u306f\u3001\u4e8b\u5f8c\u89e3\u6790\u3060\u3051\u3067\u306a\u304f\u3001\u30eb\u30fc\u30d7\u306e\u4e2d\u306b\u7d44\u307f\u8fbc\u3080\u3079\u304d\u3082\u306e\u3067\u3059\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><strong>4. \u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3068\u5b9f\u9a13\u306f\u3069\u3053\u307e\u3067\u7dca\u5bc6\u306b\u7d50\u3073\u3064\u3051\u3089\u308c\u308b\u304b\uff1a5\u3064\u306e\u6bb5<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u3053\u307e\u3067\u8ff0\u3079\u3066\u304d\u305f\u3053\u3068\u306f\u3001\u3059\u3079\u3066\u4e00\u65b9\u5411\u306e\u6d41\u308c\u3067\u3057\u305f\u3002\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u5b9f\u9a13\u306b\u60c5\u5831\u3092\u4e0e\u3048\u308b\u3001\u3068\u3044\u3046\u6d41\u308c\u3067\u3059\u3002\u3057\u304b\u3057\u5148\u65e5\u3042\u308b\u30a4\u30d9\u30f3\u30c8\u3067\u3001\u3068\u3066\u3082\u8208\u5473\u6df1\u3044\u8cea\u554f\u3092\u53d7\u3051\u307e\u3057\u305f\u3002\u305d\u306e\u6d41\u308c\u306f\u53cc\u65b9\u5411\u306b\u306a\u308a\u3046\u308b\u306e\u304b\uff1f \u5b9f\u9a13\u7d50\u679c\u304c\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u826f\u304f\u3059\u308b\u3053\u3068\u306f\u3067\u304d\u308b\u306e\u304b\uff1f 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class=\"wp-block-paragraph\"><strong>\u7b2c3\u6bb5\uff1a\u96fb\u8a71\u56de\u7dda\u3002<\/strong> \u79c1\u304c\u5b50\u3069\u3082\u306e\u9803\u3001\u96fb\u8a71\u56de\u7dda\u3068\u3044\u3046\u306e\u306f\u3001\u76f8\u624b\u3068\u30ea\u30a2\u30eb\u30bf\u30a4\u30e0\u3067\u8a71\u3057\u3001\u76f8\u624b\u3082\u305d\u306e\u5834\u3067\u8a71\u3057\u8fd4\u3057\u3066\u304f\u308c\u308b\u305f\u3081\u306e\u3082\u306e\u3067\u3057\u305f\uff08\u5ff5\u306e\u305f\u3081\u8a00\u3063\u3066\u304a\u304f\u3068\u3001\u540d\u5b57\u306fYoung\uff08\u82e5\u3044\uff09\u3067\u3059\u304c\u3001\u6094\u3057\u3044\u3053\u3068\u306b\u79c1\u3082\u6bce\u5e74\u3057\u3063\u304b\u308a\u6b73\u3092\u3068\u3063\u3066\u3044\u307e\u3059\uff09\u3002\u8cea\u554f\u3092\u3057\u3066\u3001\u7b54\u3048\u3092\u3082\u3089\u3044\u3001\u8abf\u6574\u3059\u308b\u3002\u3053\u3053\u3067\u306f\u3001\u63a2\u7d22\u306e\u9014\u4e2d\u3067\u3001\u30b7\u30b9\u30c6\u30e0\u81ea\u8eab\u304c\u4eba\u9593\u3092\u4ecb\u3055\u305a\u306b\u96fb\u8a71\u3092\u304b\u3051\u307e\u3059\u3002\u30ed\u30dc\u30c3\u30c8\u306b\u3042\u308b\u7d44\u6210\u3092\u8a66\u3055\u305b\u308b\u524d\u306b\u3001\u30d7\u30e9\u30f3\u30ca\u30fc\u304c\u8a08\u7b97\u7d50\u679c\u3092\u5148\u306b\u78ba\u304b\u3081\u3066\u304a\u304d\u305f\u3044\u304b\u3089\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>\u7b2c4\u6bb5\uff1a\u30d5\u30a3\u30fc\u30c9\u30d0\u30c3\u30af\u30eb\u30fc\u30d7\u3002<\/strong> \u3053\u3053\u3067\u5b66\u7fd2\u306e\u5411\u304d\u304c\u9006\u8ee2\u3057\u3001\u63a2\u7d22\u306e\u5b9f\u884c\u4e2d\u306b\u3001\u5b9f\u9a13\u7d50\u679c\u304c\u8a08\u7b97\u30e2\u30c7\u30eb\u3092\u6539\u5584\u3057\u59cb\u3081\u307e\u3059\u3002\u7d42\u308f\u3063\u305f\u3068\u304d\u306e\u30e2\u30c7\u30eb\u306f\u3001\u59cb\u3081\u305f\u3068\u304d\u306e\u30e2\u30c7\u30eb\u3068\u306f\u5225\u7269\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002\u305d\u3057\u3066\u305d\u306e\u9055\u3044\u306f\u3001\u30e9\u30dc\u304b\u3089\u3082\u305f\u3089\u3055\u308c\u305f\u3082\u306e\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>\u7b2c5\u6bb5\uff1a\u3072\u3068\u3064\u306e\u982d\u8133\u3068\u4e8c\u672c\u306e\u624b\u3002<\/strong> \u3053\u3053\u3067\u306f\u4e21\u8005\u304c\u4e92\u3044\u3092\u80b2\u3066\u5408\u3044\u307e\u3059\u3002\u5b9f\u9a13\u304c\u30e2\u30c7\u30eb\u3092\u518d\u5b66\u7fd2\u3055\u305b\u3066\u6b21\u306e\u4e88\u6e2c\u3092\u3088\u308a\u92ed\u304f\u3057\u3001\u3088\u308a\u92ed\u304f\u306a\u3063\u305f\u30e2\u30c7\u30eb\u304c\u3001\u30e9\u30dc\u304c\u8a66\u3059\u3079\u304d\u7bc4\u56f2\u3092\u7d5e\u308a\u8fbc\u3080\u30021\u5468\u3054\u3068\u306b\u3001\u4e92\u3044\u304c\u4e92\u3044\u3092\u826f\u304f\u3057\u3066\u3044\u304d\u307e\u3059\u3002\u305d\u306e\u5168\u4f53\u3092\u3072\u3068\u3064\u306e\u30d7\u30e9\u30f3\u30ca\u30fc\u304c\u7d71\u62ec\u3057\u3001\u300c\u5b9f\u9a13\u3092\u5b9f\u884c\u3059\u308b\u300d\u3068\u300c\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u5b9f\u884c\u3059\u308b\u300d\u3092\u3001\u3072\u3068\u3064\u306e\u4e88\u7b97\u3092\u596a\u3044\u5408\u30462\u3064\u306e\u30a2\u30af\u30b7\u30e7\u30f3\u3068\u3057\u3066\u6271\u3044\u307e\u3059\u3002\u305d\u3057\u3066\u30011\u6642\u9593\u3042\u305f\u308a\u30011\u30c9\u30eb\u3042\u305f\u308a\u3067\u6700\u3082\u4e0d\u78ba\u5b9f\u6027\u3092\u6e1b\u3089\u305b\u308b\u307b\u3046\u3092\u9078\u3073\u307e\u3059\u3002\u5b9f\u9a13\u306f\u9045\u304f\u3001\u9ad8\u4fa1\u3067\u3001\u3057\u304b\u3057\u6c7a\u5b9a\u7684\u3067\u3059\u3002\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306f\u901f\u304f\u3001\u5b89\u4fa1\u3067\u3001\u3057\u304b\u3057\u8fd1\u4f3c\u7684\u3067\u3059\u3002\u305d\u306e\u305f\u3081\u30d7\u30e9\u30f3\u30ca\u30fc\u306f\u3001\u305d\u308c\u305e\u308c\u3092\u6700\u3082\u898b\u8fd4\u308a\u306e\u5927\u304d\u3044\u3068\u3053\u308d\u306b\u4f7f\u3046\u306e\u3067\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"903\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/body_five_rungs-1024x903.jpg\" alt=\"Ladder diagram of five rungs coupling simulation and experiment, from bottom to top: the wall, the weekly meeting, the phone line, the feedback loop, and one brain and two hands, where a planner oversees both sides\" class=\"wp-image-7586\"\/><\/figure>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>4a. \u3067\u3001\u307f\u3093\u306a\u306f\u3069\u3053\u306b\u3044\u308b\u306e\u304b\uff1f<\/strong><\/h3>\n\n\n\n<p class=\"wp-block-paragraph\">\u5b9f\u969b\u306e\u7814\u7a76\u304c\u304d\u308c\u3044\u306b\u3072\u3068\u3064\u306e\u6bb5\u306b\u53ce\u307e\u308b\u3053\u3068\u306f\u306a\u304f\u3001\u9762\u767d\u3044\u3082\u306e\u307b\u3069\u8907\u6570\u306e\u6bb5\u306b\u307e\u305f\u304c\u3063\u3066\u3044\u307e\u3059\u3002\u305d\u3053\u3067\u3001\u305d\u308c\u305e\u308c\u3092\u7121\u7406\u306b\u3072\u3068\u3064\u306e\u6bb5\u306b\u62bc\u3057\u8fbc\u3080\u306e\u3067\u306f\u306a\u304f\u3001\u6587\u732e\u5168\u4f53\u304c\u3069\u306e\u3088\u3046\u306a\u69d8\u5b50\u306a\u306e\u304b\u3092\u6982\u89b3\u3057\u3066\u307f\u307e\u3057\u3087\u3046\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u6700\u8fd1\u306e\u512a\u308c\u305f\u7814\u7a76\u306e\u591a\u304f\u306f\u6700\u521d\u306e2\u3064\u306e\u6bb5\u306e\u4ed8\u8fd1\u306b\u3044\u3066\u3001\u8a08\u7b97\u304c\u3069\u3093\u306a\u5f79\u5272\u3092\u62c5\u3063\u3066\u3044\u308b\u304b\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u305f\u3068\u3048\u3070\u3001University of Toronto\u3068Kyushu University\u306b\u3088\u308b2026\u5e74\u306e\u5171\u540c\u7814\u7a76\u3067\u306f\u3001\u52b1\u8d77\u72b6\u614bDFT\u8a08\u7b97\u306b\u3088\u3063\u3066252\u500b\u306e\u30ec\u30fc\u30b6\u30fc\u5206\u5b50\u5019\u88dc\u306e\u4eee\u60f3\u30e9\u30a4\u30d6\u30e9\u30ea\u304c51\u500b\u306b\u307e\u3067\u7d5e\u308a\u8fbc\u307e\u308c\u3001\u305d\u306e\u3059\u3079\u3066\u3092\u81ea\u5f8b\u578b\u30e9\u30dc\u304c\u5408\u6210\u3057\u3066\u5149\u5b66\u7279\u6027\u3092\u8a55\u4fa1\u3057\u307e\u3057\u305f\u3002\u305d\u306e\u7d50\u679c\u3001\u3053\u308c\u307e\u3067\u8ab0\u3082\u5831\u544a\u3057\u3066\u3044\u306a\u304b\u3063\u305f\u3001700 nm\u3092\u8d85\u3048\u308b\u8fd1\u8d64\u5916\u767a\u5149\u4f53\u304c\u898b\u3064\u304b\u308a\u307e\u3057\u305f<a href=\"#ref4\">[4]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">RoboChem\u306e\u30d7\u30ed\u30c8\u30b3\u30eb\u306f\u3001\u4e00\u898b\u5206\u304b\u308a\u306b\u304f\u3044\u3082\u306e\u306e\u3001\u8208\u5473\u6df1\u3044\u4e8b\u4f8b\u3067\u3059\u3002\u305d\u306e\u6700\u9069\u5316\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u304c7\u7a2e\u985e\u306e\u30d1\u30e9\u30b8\u30a6\u30e0\u30d7\u30ec\u89e6\u5a92\u306e\u4e2d\u304b\u3089\u9078\u3076\u5fc5\u8981\u304c\u3042\u3063\u305f\u3068\u304d\u3001\u3069\u308c\u3068\u3069\u308c\u304c\u4f3c\u3066\u3044\u308b\u304b\u3092\u6559\u3048\u305f\u306e\u306f\u3001\u516c\u958b\u3055\u308c\u3066\u3044\u308b\u914d\u4f4d\u5b50\u30e9\u30a4\u30d6\u30e9\u30ea\u304b\u3089DFT\u3067\u8a08\u7b97\u3055\u308c\u305f\u8a18\u8ff0\u5b50\u306e\u4e00\u5f0f\u3067\u3057\u305f\u3002\u5f8c\u306b\u30c1\u30fc\u30e0\u304c\u57fa\u8cea\u3092\u5207\u308a\u66ff\u3048\u305f\u3068\u304d\u3001\u308f\u305a\u304b4\u56de\u306e\u8ffd\u52a0\u5b9f\u9a13\u3067\u53ce\u675f\u3067\u304d\u305f\u306e\u3082\u3001\u3053\u306e\u8a18\u8ff0\u5b50\u306e\u304a\u304b\u3052\u3067\u3059<a href=\"#ref5\">[5]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e00\u65b9\u3067\u3001\u3055\u3089\u306b\u4e0a\u306e\u6bb5\u306b\u4f4d\u7f6e\u3059\u308b\u7814\u7a76\u3082\u3042\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u305f\u3068\u3048\u3070\u3001A-Lab\u3092\u958b\u767a\u3057\u305f\u306e\u3068\u540c\u3058Berkeley\u306e\u30b0\u30eb\u30fc\u30d7\u306f\u3001\u56fa\u76f8\u5408\u6210\u306e\u305f\u3081\u306e\u81ea\u5f8b\u30b7\u30b9\u30c6\u30e0\u3092\u69cb\u7bc9\u3057\u307e\u3057\u305f\u3002\u3053\u306e\u30b7\u30b9\u30c6\u30e0\u306f\u3001\u63a2\u7d22\u306e\u9014\u4e2d\u3067\u524d\u99c6\u4f53\u306e\u7d44\u307f\u5408\u308f\u305b\u5019\u88dc\u306b\u3064\u3044\u3066\u71b1\u529b\u5b66\u7684\u99c6\u52d5\u529b\u3092\u8a08\u7b97\u3057\u3001\u76ee\u7684\u306e\u76f8\u306b\u5230\u9054\u3059\u308b\u53ef\u80fd\u6027\u304c\u6700\u3082\u9ad8\u3044\u7d44\u307f\u5408\u308f\u305b\u3092\u9078\u3073\u3001\u8a66\u884c\u304c\u5931\u6557\u3059\u308c\u3070\u9078\u3073\u76f4\u3057\u307e\u3059<a href=\"#ref6\">[6]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">AMASE\u306f\u3055\u3089\u306b\u4e00\u6b69\u9032\u3093\u3067\u3044\u307e\u3059\u3002\u5404\u56de\u6298\u7d50\u679c\u3092CALPHAD\u306b\u30d5\u30a3\u30fc\u30c9\u30d0\u30c3\u30af\u3057\u3001CALPHAD\u304c\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u518d\u30d5\u30a3\u30c3\u30c8\u3057\u3066\u6b21\u306b\u6e2c\u5b9a\u3059\u308b\u6e29\u5ea6\u3092\u9078\u3076\u3053\u3068\u3067\u3001Sn-Bi\u8584\u819c\u306e\u72b6\u614b\u56f3\u30921\u56de\u306e\u7121\u4eba\u5b9f\u884c\u3067\u63cf\u304d\u76f4\u3057\u307e\u3057\u305f\u3002\u30b0\u30ea\u30c3\u30c9\u30b5\u30fc\u30c1\u306a\u3089400\u70b9\u306e\u6e2c\u5b9a\u304c\u5fc5\u8981\u306a\u3068\u3053\u308d\u3092\u3001\u308f\u305a\u304b66\u70b9\u3067\u3001\u3067\u3059<a href=\"#ref7\">[7]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Argonne\u306e\u5225\u306e\u7814\u7a76\u306f\u3001\u540c\u3058\u3053\u3068\u3092\u3082\u3046\u4e00\u6bb5\u6df1\u3044\u30ec\u30d9\u30eb\u3067\u884c\u3044\u307e\u3057\u305f\u3002\u71b1\u529b\u5b66\u30e2\u30c7\u30eb\u3067\u306f\u306a\u304f\u3001\u9178\u5316\u30cf\u30d5\u30cb\u30a6\u30e0\u306e\u6a5f\u68b0\u5b66\u7fd2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff08MLIP\uff09\u305d\u306e\u3082\u306e\u3092\u56de\u6298\u30c7\u30fc\u30bf\u304b\u3089\u518d\u5b66\u7fd2\u3055\u305b\u305f\u306e\u3067\u3059<a href=\"#ref8\">[8]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u6700\u5f8c\u306b\u3001\u6700\u8fd1\u306e\u7814\u7a76\u3067\u306f\u3001\u3053\u3046\u3057\u305f\u8003\u3048\u65b9\u3092\u8584\u819c\u6210\u9577\u306b\u5fdc\u7528\u3057\u3066\u3044\u307e\u3059\u3002CrTaWV-Mo\u7d44\u6210\u50be\u659c\u30e9\u30a4\u30d6\u30e9\u30ea\u4e0a\u3067\u81ea\u5f8b\u7684\u306bAFM\u6e2c\u5b9a\u3092\u884c\u3044\u3001\u6e2c\u5b9a\u3057\u305f\u8868\u9762\u7c97\u3055\u3092\u3001\u305d\u306e\u90fd\u5ea6kinetic Monte Carlo\uff08kMC\uff09\u30e2\u30c7\u30eb\u306b\u30d5\u30a3\u30fc\u30c9\u30d0\u30c3\u30af\u3057\u307e\u3059\u3002kMC\u30e2\u30c7\u30eb\u306f\u819c\u3068\u4e00\u81f4\u3059\u308b\u307e\u3067\u7d50\u5408\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8abf\u6574\u3057\u76f4\u3057\u3001\u6c4e\u7528\u7684\u306a\u6210\u9577\u30e2\u30c7\u30eb\u3092\u305d\u306e\u5408\u91d1\u306b\u7279\u5316\u3057\u305f\u30e2\u30c7\u30eb\u3078\u3068\u5909\u3048\u3066\u3044\u304d\u307e\u3059<a href=\"#ref9\">[9]<\/a>\u3002\u8457\u8005\u3089\u306e\u8a00\u8449\u3092\u501f\u308a\u308c\u3070\u3001kMC\u30e2\u30c7\u30eb\u306f\u6e2c\u5b9a\u304b\u3089\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u66f4\u65b0\u3059\u308b\u306b\u3064\u308c\u3066\u300c\u5f90\u3005\u306b\u6750\u6599\u56fa\u6709\u306e\u300e\u30c7\u30b8\u30bf\u30eb\u30c4\u30a4\u30f3\u300f\u3078\u3068\u9032\u5316\u3057\u3066\u3044\u304f\u300d\u306e\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u3088\u3046\u306b\u3001\u5c11\u306a\u304f\u3068\u3082\u5b9f\u9a13\u5074\u306b\u3064\u3044\u3066\u306f\u3001\u7b2c5\u6bb5\u306e\u30b7\u30b9\u30c6\u30e0\u3092\u69cb\u6210\u3059\u308b\u8981\u7d20\u306f\u3059\u3067\u306b\u63c3\u3063\u3066\u3044\u307e\u3059\u3002\u539f\u5b50\u30ec\u30d9\u30eb\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306f\u3059\u3067\u306b\u3053\u306e\u6d41\u308c\u306b\u52a0\u308f\u3063\u3066\u3044\u3066\u3001\u5b9f\u9a13\u306b\u3088\u3063\u3066\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u3059\u308b\u3053\u3068\u3082\u3067\u304d\u307e\u3059\u3002\u3055\u3089\u306b\u3001\u305d\u308c\u3089\u3092\u8a08\u753b\u30fb\u5b9f\u884c\u3059\u308b\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u578b\u30d5\u30ec\u30fc\u30e0\u30ef\u30fc\u30af\u3082\u5b9f\u306f\u3059\u3067\u306b\u767b\u5834\u3057\u3066\u304a\u308a\u3001\u7b2c5\u6bb5\u306e\u30b7\u30b9\u30c6\u30e0\u306e\u3082\u3046\u534a\u5206\u3092\u69cb\u6210\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u306b\u3064\u3044\u3066\u306f\u3001\u3082\u3046\u5c11\u3057\u5f8c\u3067\u89e6\u308c\u307e\u3059\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><strong>5. \u539f\u5b50\u30ec\u30d9\u30eb\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u30eb\u30fc\u30d7\u306b\u7d44\u307f\u8fbc\u3080\u306b\u306f\uff1aMatlantis\u306e\u53d6\u308a\u7d44\u307f<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e88\u6e2c\u306e\u30e9\u30f3\u30ad\u30f3\u30b0\u3092\u624b\u6e21\u3055\u308c\u305f\u3053\u3068\u306e\u3042\u308b\u5b9f\u9a13\u5bb6\u306a\u3089\u8ab0\u3057\u3082\u30011\u4f4d\u306e\u5019\u88dc\u304c\u5b9f\u969b\u306b\u3069\u3046\u3060\u3063\u305f\u304b\u3068\u3044\u3046\u8a71\u3092\u3072\u3068\u3064\u306f\u6301\u3063\u3066\u3044\u307e\u3059\uff08\u3064\u307e\u308a\u3001\u3046\u307e\u304f\u3044\u304b\u305a\u306b\u30b4\u30df\u7bb1\u884c\u304d\u306b\u306a\u3063\u305f\u8a71\u3067\u3059\uff09\u3002\u3053\u306e\u5dee\u306f\u78ba\u304b\u306b\u3042\u308a\u307e\u3059\u3002\u305f\u3060\u3001\u7523\u696d\u306e\u73fe\u5834\u3067\u306f\u3001\u305d\u3082\u305d\u3082\u7cbe\u5ea6\u306e\u554f\u984c\u3067\u3059\u3089\u306a\u3044\u3053\u3068\u304c\u3088\u304f\u3042\u308a\u307e\u3059\u3002\u3080\u3057\u308d\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c100\u500b\u306e\u539f\u5b50\u30921\u30ca\u30ce\u79d2\u6271\u3046\u306e\u306b\u5bfe\u3057\u3001\u88fd\u54c1\u306f\u6570\u30df\u30af\u30ed\u30f3\u306e\u5927\u304d\u3055\u304c\u3042\u308a\u300110\u5e74\u9593\u3082\u305f\u306a\u3051\u308c\u3070\u306a\u3089\u306a\u3044\u3001\u3068\u3044\u3046\u554f\u984c\u306a\u306e\u3067\u3059\u3002\u8a08\u7b97\u81ea\u4f53\u306f\u3001\u8a2d\u5b9a\u3057\u305f\u554f\u3044\u306b\u306f\u6b63\u3057\u304f\u7b54\u3048\u3066\u3044\u308b\u3053\u3068\u304c\u591a\u3044\u306e\u3067\u3059\u3002\u9032\u884c\u4e2d\u306e\u63a2\u7d22\u306e\u4e2d\u306b\u7269\u7406\u3092\u7d44\u307f\u8fbc\u3080\u305f\u3081\u306b\u672c\u5f53\u306b\u5909\u308f\u308b\u3079\u304d\u306a\u306e\u306f\u3001\u901f\u5ea6\u3001\u5230\u9054\u7bc4\u56f2\u3001\u305d\u3057\u3066\u8a08\u7b97\u306e\u5c02\u9580\u5bb6\u3067\u306a\u304f\u3066\u3082\u4f7f\u3048\u308b\u304b\u3069\u3046\u304b\u3001\u3067\u3059\u3002<\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>5a. \u901f\u5ea6\u3068\u30b9\u30b1\u30fc\u30eb<\/strong><\/h3>\n\n\n\n<p class=\"wp-block-paragraph\">3\u9031\u9593\u304b\u304b\u308b\u8a08\u7b97\u306f\u3001\u5b9f\u9a13\u3068\u4e26\u8d70\u3059\u308b\u76f8\u68d2\u3067\u306f\u306a\u304f\u3001\u4e8b\u5f8c\u691c\u8a3c\u306e\u305f\u3081\u306e\u9053\u5177\u3067\u3059\u3002\u305d\u3057\u3066\u3001\u5f93\u6765\u306e\u91cf\u5b50\u529b\u5b66\u8a08\u7b97\u304c\u30ed\u30dc\u30c3\u30c8\u306e\u30da\u30fc\u30b9\u306b\u3064\u3044\u3066\u3044\u3051\u306a\u3044\u3053\u3068\u306f\u3001\u3059\u3067\u306b\u3088\u304f\u77e5\u3089\u308c\u3066\u3044\u307e\u3059\u3002MLIP\u304c\u3053\u306e\u72b6\u6cc1\u3092\u5909\u3048\u3001\u6c4e\u7528\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u3001\u7cfb\u3054\u3068\u306e\u30e2\u30c7\u30eb\u958b\u767a\u3068\u3044\u3046\u30b9\u30c6\u30c3\u30d7\u3092\u306a\u304f\u3059\u3053\u3068\u3067\u3001\u3055\u3089\u306b\u4e00\u6b69\u9032\u3081\u307e\u3057\u305f\u3002\u3053\u308c\u306f\u30eb\u30fc\u30d7\u306e\u4e2d\u3067\u306f\u91cd\u8981\u3067\u3059\u3002\u63a2\u7d22\u306f\u4e88\u671f\u3057\u306a\u3044\u554f\u3044\u3092\u6295\u3052\u304b\u3051\u3066\u304f\u308b\u3082\u306e\u3067\u3042\u308a\u3001\u6765\u308b\u304b\u3069\u3046\u304b\u3082\u5206\u304b\u3089\u306a\u3044\u554f\u3044\u306e\u305f\u3081\u306b\u3001\u5c02\u7528\u306e\u30e2\u30c7\u30eb\u3092\u4e8b\u524d\u306b\u5b66\u7fd2\u3055\u305b\u3066\u304a\u304f\u3053\u3068\u306f\u3067\u304d\u306a\u3044\u304b\u3089\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u4e00\u65b9\u3067\u3001\u30b9\u30b1\u30fc\u30eb\u3082\u901f\u5ea6\u3068\u540c\u3058\u304f\u3089\u3044\u91cd\u8981\u3067\u3059\u3002DFT\u304c\u4e8b\u5b9f\u4e0a\u3001\u6570\u767e\u539f\u5b50\u30fb\u30d4\u30b3\u79d2\u306e\u7bc4\u56f2\u306b\u9650\u3089\u308c\u308b\u306e\u306b\u5bfe\u3057\u3001MLIP\u306f\u306f\u308b\u304b\u306b\u5927\u304d\u306a\u7cfb\u3092\u3001\u306f\u308b\u304b\u306b\u9577\u3044\u6642\u9593\u6271\u3048\u307e\u3059\u3002\u305d\u306e\u5230\u9054\u7bc4\u56f2\u3053\u305d\u304c\u3001\u539f\u5b50\u30ec\u30d9\u30eb\u306e\u7269\u7406\u3092\u88fd\u54c1\u306e\u30b9\u30b1\u30fc\u30eb\u306b\u5c11\u3057\u3067\u3082\u8fd1\u3065\u3051\u308b\u624b\u6bb5\u3067\u3082\u3042\u308a\u307e\u3059\u3002\u3055\u3089\u306b\u3001MLIP\u3092\u7c97\u8996\u5316\u624b\u6cd5\u3001\u30de\u30a4\u30af\u30ed\u30ad\u30cd\u30c6\u30a3\u30af\u30b9\u3001kMC\u3001\u30d5\u30a7\u30fc\u30ba\u30d5\u30a3\u30fc\u30eb\u30c9\u6cd5\u306a\u3069\u3068\u7d44\u307f\u5408\u308f\u305b\u308c\u3070\u3001\u305d\u306e\u5230\u9054\u7bc4\u56f2\u306f\u3055\u3089\u306b\u5e83\u304c\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u5f53\u793e\u306e\u6c4e\u7528MLIP\u3067\u3042\u308bMatlantis PFP\u306f\u3001\u6750\u6599\u3054\u3068\u306e\u30e2\u30c7\u30eb\u958b\u767a\u306a\u3057\u306b\u300196\u5143\u7d20\u306b\u308f\u305f\u3063\u3066\u53c2\u7167DFT\u306b\u8feb\u308b\u7cbe\u5ea6\u3092\u5b9f\u73fe\u3057\u3066\u3044\u307e\u3059<a href=\"#ref10\">[10]<\/a>\u3002\u305d\u3057\u3066\u72ec\u81ea\u306e\u63a8\u8ad6\u30b7\u30b9\u30c6\u30e0\u3067\u3042\u308bPFVM\u306b\u3088\u3063\u3066\u3001\u8a08\u7b97\u5f85\u3061\u306e\u5217\uff08\u30ad\u30e5\u30fc\uff09\u306b\u4e26\u3076\u306e\u3067\u306f\u306a\u304f\u3001\u30eb\u30fc\u30d7\u306e\u4e2d\u306b\u5165\u308c\u308b\u3060\u3051\u306e\u901f\u3055\u3092\u5b9f\u73fe\u3057\u3066\u3044\u307e\u3059<a href=\"#ref11\">[11]<\/a>\u3002PFP\u3067\u6271\u3048\u308b\u7bc4\u56f2\u306f\u3001\u4e00\u822c\u306b\u601d\u308f\u308c\u3066\u3044\u308b\u3088\u308a\u5e83\u3044\u3082\u306e\u3067\u3059\u3002\u305f\u3068\u3048\u3070\u6700\u8fd1\u306e\u7814\u7a76\u3067\u306f\u3001\u6c34\u4e2d\u306ePETase\u9175\u7d20\u5168\u4f53\u3092\u5bfe\u8c61\u306b\u3001PET\u52a0\u6c34\u5206\u89e3\u53cd\u5fdc\u3092\u5168\u539f\u5b50\u3067\u6271\u3063\u3066\u3044\u307e\u3059<a href=\"#ref12\">[12]<\/a>\u3002\u307e\u305f\u3001\u3053\u308c\u306f\u79c1\u305f\u3061\u81ea\u8eab\u306e\u8a55\u4fa1\u3060\u3051\u3067\u306f\u306a\u3044\u3053\u3068\u3082\u4ed8\u3051\u52a0\u3048\u3066\u304a\u304d\u307e\u3059\u3002MLIP Arena\u306f\u3001\u56fa\u5b9a\u3055\u308c\u305fDFT\u53c2\u7167\u5024\u306b\u5bfe\u3059\u308b\u8aa4\u5dee\u3067\u306f\u306a\u304f\u3001\u7269\u7406\u7684\u306a\u59a5\u5f53\u6027\u3068\u73fe\u5b9f\u306e\u6319\u52d5\u3067\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u8a55\u4fa1\u3059\u308b\u7b2c\u4e09\u8005\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u3067\u3059\u3002\u305d\u3053\u3067\u6700\u65b0\u306ePFP\u306f\u3001MACE-MPA\u3068\u4e26\u3093\u3067\u7dcf\u54081\u4f4d\u30bf\u30a4\u3068\u306a\u308a\u3001\u500b\u5225\u30bf\u30b9\u30af\u306e\u3046\u30613\u3064\u30671\u4f4d\u3092\u7372\u5f97\u3057\u307e\u3057\u305f\uff08\u3053\u308c\u306f\u3069\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3088\u308a\u3082\u591a\u3044\u6570\u3067\u3059\uff09<a href=\"#ref13\">[13]<\/a>\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u6700\u5f8c\u306b\u3001PFP\u306f\u3044\u304f\u3064\u304b\u306e\u65b9\u5411\u306b\u62e1\u5f35\u3067\u304d\u307e\u3059\u3002OpenMM\u306e\u3088\u3046\u306a\u78ba\u7acb\u3055\u308c\u305f\u30a8\u30f3\u30b8\u30f3\u3068\u7d44\u307f\u5408\u308f\u305b\u308c\u3070\u3088\u308a\u5927\u304d\u306a\u7cfb\u3092\u6271\u3048\u308b\u3088\u3046\u306b\u306a\u308a\u3001\u91d1\u5c5e\u3068\u30dd\u30ea\u30de\u30fc\u306e\u754c\u9762\u306b\u304a\u3051\u308b\u754c\u9762\u71b1\u62b5\u6297\u306e\u8a08\u7b97\u304c\u73fe\u5b9f\u7684\u306b\u306a\u3063\u305f\u306e\u3082\u3001\u3053\u308c\u306b\u3088\u308b\u3082\u306e\u3067\u3059<a href=\"#ref14\">[14]<\/a>\u3002\u307e\u305f\u3001PFP Descriptors\u306f\u3001\u30e2\u30c7\u30eb\u304c\u5185\u90e8\u3067\u69cb\u7bc9\u3059\u308b\u7279\u5fb4\u30d9\u30af\u30c8\u30eb\u3092\u53d6\u308a\u51fa\u305b\u308b\u3088\u3046\u306b\u3057\u307e\u3059\u3002\u3053\u308c\u3092\u4f7f\u3048\u3070\u3001\u8ab0\u3082\u30ab\u30bf\u30ed\u30b0\u5316\u3057\u3066\u3044\u306a\u3044\u63a2\u7d22\u7a7a\u9593\u3092\u30de\u30c3\u30d4\u30f3\u30b0\u3057\u305f\u308a\u3001XRD\u3001\u30b9\u30da\u30af\u30c8\u30eb\u3001\u753b\u50cf\u3068\u3044\u3063\u305f\u81ea\u793e\u306e\u6e2c\u5b9a\u30c7\u30fc\u30bf\u3068\u4e00\u7dd2\u306b\u305d\u306e\u7279\u5fb4\u91cf\u3092\u30e2\u30c7\u30eb\u306b\u5165\u529b\u3057\u305f\u308a\u3067\u304d\u307e\u3059\u3002\u3053\u3046\u3057\u3066\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3068\u5b9f\u9a13\u304c\u3072\u3068\u3064\u306e\u4e88\u6e2c\u30e2\u30c7\u30eb\u3092\u4e00\u7dd2\u306b\u5b66\u7fd2\u3055\u305b\u308b\u306e\u3067\u3059<a href=\"#ref15\">[15]<\/a>\u3002<\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>5b. \u30a2\u30af\u30bb\u30b9<\/strong><\/h3>\n\n\n\n<p class=\"wp-block-paragraph\">\u901f\u5ea6\u304c\u4e0a\u304c\u3063\u3066\u3082\u30012\u3064\u76ee\u306e\u969c\u58c1\u306f\u306a\u304f\u306a\u308a\u307e\u305b\u3093\u3002\u305d\u308c\u306f\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u4f7f\u3046\u306e\u306b\u8a08\u7b97\u306e\u5c02\u9580\u5bb6\u4e26\u307f\u306e\u719f\u7df4\u304c\u5fc5\u8981\u306a\u3089\u3001\u591a\u304f\u306e\u4eba\u306e\u5f79\u306b\u306f\u7acb\u305f\u306a\u3044\u3068\u3044\u3046\u3053\u3068\u3067\u3059\u3002\u5b9f\u9a13\u5bb6\u3068\u8a08\u7b97\u306e\u3042\u3044\u3060\u306b\u3042\u3063\u305f\u58c1\u306e\u591a\u304f\u306f\u3001\u8a08\u7b97\u3092\u4f7f\u3044\u3053\u306a\u3059\u305f\u3081\u306e\u5c02\u9580\u77e5\u8b58\u3067\u3057\u305f\u3002\u624b\u6cd5\u3092\u9069\u7528\u3059\u308b\u3060\u3051\u3067\u306a\u304f\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u5b9f\u884c\u3059\u308b\u306b\u306f\u3001\u89e3\u304f\u3079\u304d\u554f\u984c\u306e\u7bc4\u56f2\u306e\u898b\u6975\u3081\u3001\u69cb\u9020\u30d5\u30a1\u30a4\u30eb\u306e\u6e96\u5099\u3001\u6761\u4ef6\u8a2d\u5b9a\u3068\u30d1\u30e9\u30e1\u30fc\u30bf\u8abf\u6574\u3001\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u3001\u7d50\u679c\u306e\u96c6\u8a08\u304c\u5fc5\u8981\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u6700\u8fd1\u3001\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u304c\u305d\u306e\u58c1\u3092\u53d6\u308a\u58ca\u3057\u59cb\u3081\u3066\u3044\u307e\u3059\u3002\u305f\u3068\u3048\u3070QUASAR\u306f3\u3064\u306e\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u304b\u3089\u306a\u308b\u30b7\u30b9\u30c6\u30e0\u3067\u3001DFT\u3001MLIP\u3001MD\u3001\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u6cd5\u3092\u30ab\u30d0\u30fc\u3057\u3001\u8981\u6c42\u306b\u5fdc\u3058\u3066\u30b3\u30b9\u30c8\u3068\u7cbe\u5ea6\u306e\u30d0\u30e9\u30f3\u30b9\u3092\u3068\u308a\u3001\u516c\u958b\u6e08\u307f\u306e\u5149\u89e6\u5a92\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3092\u4eba\u9593\u306e\u6307\u793a\u306a\u3057\u306b\u518d\u73fe\u3057\u307e\u3057\u305f<a href=\"#ref16\">[16]<\/a>\u3002\u5225\u306e\u4f8b\u3068\u3057\u3066\u3001Argonne\u306b\u3088\u308b\u6700\u8fd1\u306e\u30b7\u30b9\u30c6\u30e0\u306f\u3001\u69cb\u9020\u751f\u6210\u304b\u3089\u89e3\u6790\u307e\u306711\u306e\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u3092\u9023\u643a\u3055\u305b\u3001\u969c\u5bb3\u304b\u3089\u306e\u56de\u5fa9\u6a5f\u80fd\u3082\u7d44\u307f\u8fbc\u3093\u3067\u3044\u307e\u3059<a href=\"#ref17\">[17]<\/a>\u3002\u30e6\u30fc\u30b6\u30fc\u304c\u81ea\u7136\u8a00\u8a9e\u306e\u30d7\u30ed\u30f3\u30d7\u30c8\u3092\u7ba1\u7406\u8005\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u306b\u6e21\u3059\u3068\u3001\u7ba1\u7406\u8005\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u306fLAMMPS\u306e\u5c02\u9580\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u305f\u3061\u306b\u4f5c\u696d\u3092\u632f\u308a\u5206\u3051\u307e\u3059\u3002\u5c02\u9580\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u306f\u69cb\u9020\u3092\u69cb\u7bc9\u3057\u3001\u9069\u5207\u306a\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u63a2\u3057\u51fa\u3057\u3001\u30b8\u30e7\u30d6\u3092\u66f8\u3044\u3066\u6295\u5165\u3057\u3001\u51fa\u529b\u3092\u89e3\u6790\u3057\u307e\u3059\u3002\u5b9f\u884c\u304c\u30a8\u30e9\u30fc\u306b\u306a\u308b\u3068\u3001\u30d5\u30ec\u30fc\u30e0\u30ef\u30fc\u30af\u306f\u81ea\u5206\u3067\u30b9\u30af\u30ea\u30d7\u30c8\u3092\u4fee\u6b63\u3057\u3001\u901a\u308b\u307e\u3067\u518d\u6295\u5165\u3057\u307e\u3059\u3002\u305d\u3057\u3066\u691c\u8a3c\u3055\u308c\u305f\u5143\u7d20\u3084\u5408\u91d1\u306b\u3064\u3044\u3066\u306f\u3001\u30c1\u30fc\u30e0\u306e\u5c02\u9580\u5bb6\u304c\u624b\u4f5c\u696d\u3067\u51fa\u3057\u305f\u5024\u306b\u8fd1\u3044\u7d50\u679c\u304c\u5f97\u3089\u308c\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Matlantis\u3067\u3082\u3001\u3053\u306e\u8ab2\u984c\u306b\u53d6\u308a\u7d44\u3093\u3067\u3044\u307e\u3059\u3002\u554f\u984c\u306e\u3072\u3068\u3064\u306f\u3001\u6c4e\u7528\u306e\u30b3\u30fc\u30c7\u30a3\u30f3\u30b0\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u306fMatlantis\u3092\u898b\u305f\u3053\u3068\u304c\u306a\u3044\u3001\u3068\u3044\u3046\u3053\u3068\u3067\u3059\u3002\u305d\u306e\u305f\u3081\u3001\u3082\u3063\u3068\u3082\u3089\u3057\u3044\u30b3\u30fc\u30c9\u3092\u3001\u81ea\u4fe1\u6e80\u3005\u306b\u3001\u3057\u304b\u3082\u9593\u9055\u3063\u3066\u66f8\u3044\u3066\u3057\u307e\u3044\u307e\u3059\u3002\u8db3\u308a\u306a\u3044\u306e\u306f\u3001\u5b66\u7fd2\u30c7\u30fc\u30bf\u306b\u542b\u307e\u308c\u3066\u3044\u306a\u304b\u3063\u305f\u30c9\u30e1\u30a4\u30f3\u77e5\u8b58\u3067\u3059\u3002\u305d\u3053\u3067\u79c1\u305f\u3061\u306f\u3001Matlantis\u306e\u95a2\u6570\u3001API\u3001\u4ee3\u8868\u7684\u306a\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3092\u3001\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u304c\u8aad\u307f\u8fbc\u3093\u3067\u53c2\u7167\u3067\u304d\u308b\u5f62\u306b\u307e\u3068\u3081\u305fSkills\u30e9\u30a4\u30d6\u30e9\u30ea\u3092GitHub\u3067\u516c\u958b\u3057\u307e\u3057\u305f<a href=\"#ref18\">[18]<\/a>\u3002Claude Code\u3001Codex\u306a\u3069\u3067\u52d5\u4f5c\u3057\u3001\u30a4\u30f3\u30b9\u30c8\u30fc\u30e9\u30fc\u3092\u4f7f\u3048\u3070Matlantis\u306e\u30bf\u30fc\u30df\u30ca\u30eb\u5185\u3067Claude Code\u3092\u5b9f\u884c\u3067\u304d\u307e\u3059\u3002\u3084\u308a\u305f\u3044\u3053\u3068\u3092\u666e\u6bb5\u306e\u8a00\u8449\u3067\u8aac\u660e\u3057\u3001\u30b9\u30af\u30ea\u30d7\u30c8\u3092\u751f\u6210\u30fb\u7de8\u96c6\u3057\u3001\u5b9f\u884c\u3057\u3001\u51fa\u529b\u3092\u8aad\u3080\u3002\u305d\u306e\u3059\u3079\u3066\u3092\u3001\u74b0\u5883\u304b\u3089\u96e2\u308c\u308b\u3053\u3068\u306a\u304f\u884c\u3048\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u30ed\u30dc\u30c3\u30c8\u304c\u5b9f\u9a13\u306e\u624b\u4f5c\u696d\u3092\u81ea\u52d5\u5316\u3057\u305f\u3088\u3046\u306b\u3001\u4eca\u5ea6\u306f\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u304c\u8a08\u7b97\u306e\u624b\u4f5c\u696d\u3092\u81ea\u52d5\u5316\u3057\u3064\u3064\u3042\u308a\u307e\u3059\u3002\u5909\u308f\u308b\u306e\u306f\u3001\u901f\u5ea6\u3068\u3044\u3046\u3088\u308a\u3082\u3001\u8ab0\u304c\u554f\u3044\u3092\u7acb\u3066\u3089\u308c\u308b\u304b\u3001\u3067\u3059\u3002\u8a08\u7b97\u306e\u5b9f\u884c\u306b\u5c02\u9580\u5bb6\u306e1\u9031\u9593\u3092\u8cbb\u3084\u3059\u5fc5\u8981\u304c\u306a\u304f\u306a\u308c\u3070\u3001\u3053\u308c\u307e\u3067\u308f\u3056\u308f\u3056\u983c\u3080\u307b\u3069\u3067\u3082\u306a\u304b\u3063\u305f\u5c0f\u3055\u306a\u554f\u3044\u3082\u3001\u554f\u308f\u308c\u308b\u3088\u3046\u306b\u306a\u308b\u306e\u3067\u3059\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><strong>6. \u304a\u308f\u308a\u306b<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">\u81ea\u5f8b\u578b\u30e9\u30dc\u306f\u3001\u73fe\u5728\u306e\u6750\u6599R&amp;D\u306b\u304a\u3044\u3066\u6700\u3082\u30a8\u30ad\u30b5\u30a4\u30c6\u30a3\u30f3\u30b0\u306a\u9032\u5c55\u306e\u3072\u3068\u3064\u3067\u3059\u3002\u540c\u6642\u306b\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u4f7f\u3044\u65b9\u3092\u898b\u76f4\u3059\u304d\u3063\u304b\u3051\u3067\u3082\u3042\u308a\u307e\u3059\u3002\u5b9f\u9a13\u304c\u901f\u304f\u306a\u308c\u3070\u306a\u308b\u307b\u3069\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u4fa1\u5024\u306f\u9ad8\u307e\u308a\u307e\u3059\u3002\u30b9\u30eb\u30fc\u30d7\u30c3\u30c8\u3068\u6d1e\u5bdf\u306f\u3001\u3082\u3068\u3082\u3068\u540c\u3058\u8cc7\u6e90\u3067\u306f\u306a\u3044\u304b\u3089\u3067\u3059\u3002\u3067\u3059\u304b\u3089\u3001\u672c\u5f53\u306b\u8003\u3048\u308b\u3079\u304d\u306f\u4e21\u65b9\u3092\u4f7f\u3046\u304b\u3069\u3046\u304b\u3067\u306f\u306a\u304f\u3001\u4e21\u8005\u3092\u3069\u3053\u307e\u3067\u7dca\u5bc6\u306b\u7d50\u3073\u3064\u3051\u308b\u304b\u3001\u3067\u3059\u3002\u305f\u3060\u3057\u3001\u306f\u3057\u3054\u306e\u6bb5\u306f\u9806\u4f4d\u8868\u3067\u306f\u3042\u308a\u307e\u305b\u3093\u3002\u7b2c5\u6bb5\u304c\u30b4\u30fc\u30eb\u306a\u308f\u3051\u3067\u3082\u3001\u7b2c1\u6bb5\u304c\u5931\u6557\u306a\u308f\u3051\u3067\u3082\u3042\u308a\u307e\u305b\u3093\u3002\u9069\u5207\u306a\u7d50\u3073\u3064\u304d\u65b9\u306f\u3001\u53d6\u308a\u7d44\u3080\u8ab2\u984c\u3068\u3001\u9593\u9055\u3063\u305f\u7b54\u3048\u304c\u3069\u308c\u3060\u3051\u306e\u4ee3\u511f\u3092\u4f34\u3046\u304b\u306b\u3088\u3063\u3066\u6c7a\u307e\u308a\u307e\u3059\u3002\u6bb5\u3092\u4e26\u3079\u3066\u307f\u305b\u305f\u306e\u306f\u3001\u3069\u3053\u307e\u3067\u767b\u308b\u3079\u304d\u304b\u3092\u6307\u56f3\u3059\u308b\u305f\u3081\u3067\u306f\u3042\u308a\u307e\u305b\u3093\u3002\u81ea\u5206\u306e\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u306e\u3069\u3053\u306b\u8a08\u7b97\u304c\u6700\u3082\u3088\u304f\u30d5\u30a3\u30c3\u30c8\u3059\u308b\u304b\u3092\u8003\u3048\u308b\u305f\u3081\u306e\u3001\u3072\u3068\u3064\u306e\u67a0\u7d44\u307f\u3067\u3059\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u30e9\u30dc\u3060\u3051\u304c\u3059\u3079\u3066\u3067\u306f\u3042\u308a\u307e\u305b\u3093\uff08The lab is not all you need\uff09\u3002\u3060\u304b\u3089\u3053\u305d\u3001\u5343\u56de\u76ee\u306e\u5b9f\u9a13\u3068\u3001\u7d50\u5c40\u98f2\u307f\u305d\u3073\u308c\u305f\u30b3\u30fc\u30d2\u30fc\u306e\u3042\u3044\u3060\u306e\u3069\u3053\u304b\u3067\u3001\u5c11\u3057\u7acb\u3061\u6b62\u307e\u3063\u3066\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306e\u9999\u308a\u3082\u697d\u3057\u3093\u3067\u307f\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><strong>\u53c2\u8003\u6587\u732e<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref1\">[1] N. J. Szymanski et al., \u201cAn autonomous laboratory for the accelerated synthesis of inorganic materials,\u201d Nature 624, 86\u201391 (2023), doi:10.1038\/s41586-023-06734-w. Author Correction: Nature 650, E1 (2026), doi:10.1038\/s41586-025-09992-y.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref2\">[2] J. Abed et al., \u201cOpen Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models,\u201d arXiv:2411.11783 (2024), doi:10.48550\/arXiv.2411.11783.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref3\">[3] Matlantis, \u201c\u30e1\u30bf\u30ce\u30fc\u30eb\u5408\u6210\u89e6\u5a92\u306e\u8a08\u7b97\u3068\u5b9f\u8a3c,\u201d <a href=\"https:\/\/matlantis.com\/ja\/calculation\/calculation-and-verification-of-methanol-synthesis-catalysts\/\">https:\/\/matlantis.com\/ja\/calculation\/calculation-and-verification-of-methanol-synthesis-catalysts<\/a><\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref4\">[4] H. S. Park, M. Mazaheri, C. Choi, H. Hao, D. Avagliano, E. Isbrandt, B. S. B. Karunathilaka, C. Adachi, A. Aspuru-Guzik, \u201cDiscovery of tunable and soluble organic emitters for solid-state lasers with a self-driving laboratory,\u201d Nature Communications 17, 2920 (2026), doi:10.1038\/s41467-026-69233-2.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref5\">[5] S. Pilon et al., \u201cA flexible and affordable self-driving laboratory for automated reaction optimization,\u201d Nature Synthesis (2026), doi:10.1038\/s44160-026-01053-0; T. Gensch et al., \u201cA comprehensive discovery platform for organophosphorus ligands for catalysis,\u201d J. Am. Chem. Soc. 144, 1205\u20131217 (2022), doi:10.1021\/jacs.1c09718.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref6\">[6] N. J. Szymanski, P. Nevatia, C. J. Bartel, Y. Zeng, G. Ceder, \u201cAutonomous and dynamic precursor selection for solid-state materials synthesis,\u201d Nature Communications 14, 6956 (2023), doi:10.1038\/s41467-023-42329-9.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref7\">[7] H. Liang, C. Wang, H. Yu, D. Kirsch, R. Pant, A. McDannald, A. G. Kusne, J.-C. Zhao, I. Takeuchi, \u201cReal-time experiment-theory closed-loop interaction for autonomous materials science,\u201d Science Advances 11, eadu7426 (2025), doi:10.1126\/sciadv.adu7426.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref8\">[8] G. Sivaraman, L. Gallington, A. N. Krishnamoorthy, M. Stan, G. Cs\u00e1nyi, \u00c1. V\u00e1zquez-Mayagoitia, C. J. Benmore, \u201cExperimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide,\u201d Physical Review Letters 126, 156002 (2021), doi:10.1103\/PhysRevLett.126.156002.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref9\">[9] B. N. Slautin, K. Barakati, Y. Liu, R. Emery, P. Rack, S. V. Kalinin, \u201cBayesian Conavigation of a Computational Physical Model and Atomic Force Microscopy Experiment to Autonomously Survey a Combinatorial Materials Library,\u201d ACS Nano (2026), doi:10.1021\/acsnano.6c03268.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref10\">[10] S. Takamoto et al., \u201cTowards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements,\u201d Nature Communications 13, 2991 (2022), doi:10.1038\/s41467-022-30687-9. For the 96-element coverage, see PFP v7 release (Matlantis, 2024),<a href=\"https:\/\/matlantis.com\/ja\/news\/pfp-v7-release\/\">https:\/\/matlantis.com\/ja\/news\/pfp-v7-release\/<\/a>, and C. Shinagawa et al., \u201cMatlantis-PFP v8: Universal Machine Learning Interatomic Potential with Better Experimental Agreements via r2SCAN Functional,\u201d arXiv:2603.11063 (2026), doi:10.48550\/arXiv.2603.11063.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref11\">[11] Matlantis, \u201cAI\u30e2\u30c7\u30eb \u300cMatlantis PFP\u300d \u3068\u306f\u201d,<a href=\"https:\/\/matlantis.com\/ja\/product\/about-pfp\/\">https:\/\/matlantis.com\/ja\/product\/about-pfp\/<\/a>.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref12\">[12] M. Yamauchi, M. Sato, \u201cWhole-Enzyme Reactive Free-Energy Simulations with a Universal Machine Learning Interatomic Potential: Catalytic Mechanism and Mutational Effects of PETase,\u201d ChemRxiv (2025), doi:10.26434\/chemrxiv.15004671.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref13\">[13] Matlantis, \u201cMatlantis PFP v9\u3001\u6a5f\u68b0\u5b66\u7fd2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u516c\u958b\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u300cMLIP Arena\u300d\u306e\u7dcf\u5408\u30e9\u30f3\u30ad\u30f3\u30b0\u3067\u540c\u73871\u4f4d\u201d (2026),<a href=\"https:\/\/matlantis.com\/ja\/news\/pfp-v9-mlip-arena\/\">https:\/\/matlantis.com\/ja\/news\/pfp-v9-mlip-arena\/<\/a>. Benchmark: Y. Chiang et al., \u201cMLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform,\u201d NeurIPS 2025, <a href=\"https:\/\/openreview.net\/forum?id=SAT0KPA5UO\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/openreview.net\/forum?id=SAT0KPA5UO<\/a>; leaderboard values as of March 1, 2026.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref14\">[14] Matlantis, \u201c\u91d1\u5c5e-\u30dd\u30ea\u30de\u30fc\u63a5\u5408\u69cb\u9020\u306b\u304a\u3051\u308b\u754c\u9762\u71b1\u62b5\u6297\u8a08\u7b97,\u201d<a href=\"https:\/\/matlantis.com\/ja\/calculation\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface\/\">https:\/\/matlantis.com\/ja\/calculation\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface\/<\/a>.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref15\">[15] Preferred Networks Tech Blog, \u201cThe Power of PFP Descriptors: Enhancing Prediction Tasks with Pre-trained Neural Network Potentials\u201d (2025), <a href=\"https:\/\/tech.preferred.jp\/en\/blog\/the-power-of-pfp-descriptors-enhancing-prediction-tasks-with-pre-trained-neural-network-potentials\/\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/tech.preferred.jp\/en\/blog\/the-power-of-pfp-descriptors-enhancing-prediction-tasks-with-pre-trained-neural-network-potentials\/<\/a>.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref16\">[16] F. Yang, J. D. Evans, \u201cQUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities,\u201d J. Chem. Inf. Model. 66(10), 5911\u20135918 (2026), doi:10.1021\/acs.jcim.6c00295.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref17\">[17] A. Vriza, U. Kornu, A. Koneru, H. Chan, S. K. R. S. Sankaranarayanan, \u201cMulti-agentic AI framework for end-to-end atomistic simulations,\u201d Digital Discovery 5, 440\u2013452 (2026), doi:10.1039\/D5DD00435G.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\" id=\"ref18\">[18] Matlantis, \u201cMatlantis\u3001AI\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u9023\u643a\u6a5f\u80fd\u3092\u63d0\u4f9b\u958b\u59cb,\u201d<a href=\"https:\/\/matlantis.com\/ja\/news\/release-260527\/\">https:\/\/matlantis.com\/ja\/news\/release-260527\/<\/a>.<\/p>\n\n\n\n<style>\np[id^=\"ref\"] { scroll-margin-top: 120px; }\n<\/style>\n","protected":false},"featured_media":7587,"template":"","blog_tag":[161,135],"class_list":["post-7584","pfnblog","type-pfnblog","status-publish","has-post-thumbnail","hentry","blog_tag-161","blog_tag-mlip"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/pfnblog\/7584","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/pfnblog"}],"about":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/types\/pfnblog"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media\/7587"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=7584"}],"wp:term":[{"taxonomy":"blog_tag","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/blog_tag?post=7584"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}