\u6628\u65e5\u5206\u306b\u8a02\u6b63\u304c\u3042\u308a\u307e\u3059\u3002\u30d7\u30ed\u30b0\u30e9\u30e0LAMMPS\u3092\u88fd\u4f5c\u7ba1\u7406\u3057\u3066\u3044\u308b\u306e\u306fLos Alamos\u3067\u306f\u306a\u304f\u3066\u3001\u7c73\u56fd\u306e Sandia \u56fd\u7acb\u7814\u7a76\u6240\u3068Temple\u5927\u5b66\u3067\u3057\u305f\u3002\u304a\u308f\u3073\u3057\u307e\u3059\u3002Sandia\u56fd\u7acb\u7814\u7a76\u6240\u306b\u3064\u3044\u3066\u306f\u6765\u9031\u7d39\u4ecb\u3057\u307e\u3057\u3087\u3046\u3002
\nLAMMPS\u306f\u3001\u5206\u5b50\u52d5\u529b\u5b66\u3068\u547c\u3070\u308c\u308b\u8a08\u7b97\u3092\u884c\u3044\u307e\u3059\u3002\u79c1\u304c\u6700\u8fd1\u884c\u3063\u305f\u84b8\u7740\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u4f8b\u3092\u793a\u3057\u307e\u3059\u3002
\n700K\u306b\u8a2d\u5b9a\u3000https:\/\/www.youtube.com\/watch?v=F0Hi9NkacY8
\n100K\u306b\u8a2d\u5b9a\u3000https:\/\/www.youtube.com\/watch?v=-FVRxe3D5pM
\n\u5b9f\u969b\u3068\u6bd4\u8f03\u3059\u308b\u3068\u84b8\u7740\u5206\u5b50\u306e\u901f\u5ea6\u306f\u3060\u3044\u305f\u3044\u3053\u308c\u304f\u3089\u3044\u3001\u65b0\u305f\u306a\u5206\u5b50\u304c\u6765\u308b\u983b\u5ea6\u306f\u6570\u6841\u5927\u304d\u3044\u3067\u3059\u3002\u3053\u306e\u8a08\u7b97\u306fGPU\u30676\u6642\u9593\u304b\u304b\u308a\u307e\u3057\u305f\u3002
\n\uff08\u203byoutube \u306f\u81ea\u5206\u306egoogle \u30a2\u30ab\u30a6\u30f3\u30c8\u3092\u4f7f\u3063\u3066\u7c21\u5358\u306b\u4f5c\u308c\u307e\u3059\u3002google \u306b\u30ed\u30b0\u30a4\u30f3\u3001youtube\u306b\u3057\u3066\u3001\u53f3\u4e0a\u306e\u30ab\u30e1\u30e9\u306b\uff0b\u306e\u30de\u30fc\u30af\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002\u9060\u9694\u8b1b\u7fa9\u306e\u9332\u753b\u3092\u5fa9\u7fd2\u7528\u306b\u5c65\u4fee\u8005\u306b\u898b\u305b\u308b\u305f\u3081\u306b\u7fd2\u5f97\u3057\u307e\u3057\u305f\u3002\u4e0a\u306e\u52d5\u753b\u306f\u300c\u9650\u5b9a\u516c\u958b\u300d\u3067\u691c\u7d22\u306b\u5f15\u3063\u304b\u304b\u308a\u307e\u305b\u3093\u3002\u8996\u8074\u8005\u3092\u9650\u5b9a\u3059\u308b\u300c\u79d8\u5bc6\u516c\u958b\u300d\u3082\u3067\u304d\u307e\u3059\u3002codec\u3082\u305d\u308d\u3063\u3066\u3044\u308b\u3088\u3046\u3067\u3059\u3057\u3001\u52d5\u753b\u306e\u5927\u304d\u3044\u30d5\u30a1\u30a4\u30eb\u3092\u30e1\u30fc\u30eb\u3067\u9001\u3089\u306a\u304f\u3066\u6e08\u3080\u306e\u3067\u30c7\u30a3\u30b9\u30ab\u30c3\u30b7\u30e7\u30f3\u306b\u3082\u4fbf\u5229\u3067\u3059\uff09
\n\u52d5\u753b\u306e\u5206\u5b50\u306f\u3001\u30d9\u30f3\u30bc\u30f3\u74b0\u304c\u30d1\u30e9\u4f4d\u3067\uff16\u500b\u304f\u3063\u3064\u3044\u305f6P\u3068\u3044\u3046\u6709\u6a5f\u534a\u5c0e\u4f53\u3067\u3059\u3002\u7a7a\u4e2d\u3067\u306f\u7acb\u4f53\u969c\u5bb3\u3092\u907f\u3051\u308b\u305f\u3081\u306d\u3058\u308c\u3066\u3044\u307e\u3059\u304c\u3001\u30b0\u30e9\u30d5\u30a1\u30a4\u30c8\u57fa\u677f\u306b\u5230\u9054\u3059\u308b\u3068\u5e73\u9762\u306b\u8fd1\u304f\u306a\u308b\u306e\u304c\u9762\u767d\u3044\u3067\u3059\u306d\u3002\u4e0a\u8a18\u306e\u3088\u3046\u306b\u6e29\u5ea6\u3092\u6307\u5b9a\u3057\u3066\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3059\u308b\u3053\u3068\u3082\u3067\u304d\u307e\u3059\u3002\u305d\u306e\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u306f\u660e\u65e5\u89e3\u8aac\u3057\u307e\u3059\u3002
\nLAMMPS\u306e\u30de\u30cb\u30e5\u30a2\u30eb\u306f1800\u30da\u30fc\u30b8\u4ee5\u4e0a\u3042\u308a\u307e\u3059\u3002pdf\u3060\u3068\u3068\u3066\u3082\u5370\u5237\u3067\u304d\u306a\u3044\u3057\u8aad\u3081\u306a\u3044\u3068\u601d\u3044\u307e\u3059\u304c\u3001html\u5f62\u5f0f\uff08web)\u3067\u30ea\u30f3\u30af\u3092\u305f\u3069\u3063\u3066\u8aad\u3080\u3068\u3001\u5fc5\u8981\u306a\u3068\u3053\u308d\u306f\u77ed\u671f\u9593\u3067\u7fd2\u5f97\u3067\u304d\u308b\u3053\u3068\u304c\u308f\u304b\u308a\u307e\u3057\u305f\uff08pdf500\u307a\u30fc\u30b8\u5206\u304f\u3089\u3044\u306f\u8aad\u3093\u3060\u3068\u601d\u3044\u307e\u3059\uff09
\nhttps:\/\/docs.lammps.org\/Manual.html<\/p>\n
\u5206\u5b50\u52d5\u529b\u5b66\u3000molecular dynamics
\n\u8a02\u6b63 correction
\n\u9650\u5b9a\u516c\u958b limited access
\n\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3000simulation \u7db4\u308a\uff08\u65e5\u672c\u8a9e\u3082\u82f1\u8a9e\u3082\uff09\u3092\u307e\u3061\u304c\u3048\u306a\u3044\u3088\u3046\u306b\uff01
\nhttps:\/\/en.wikipedia.org\/wiki\/Molecular_dynamics \u304b\u3089
\ntrajectory\u3000\u8ecc\u9053\u3000\uff08orbit\u306f\u5468\u56de\u8ecc\u9053\uff09
\ncumulative errors \u300c\u30ad\u30e5\u300d\u30e0\u3089\u30c6\u30a3\u30f4\u3000\u7d2f\u7a4d\u8aa4\u5dee
\nergotic hypothesis \u30a8\u30eb\u30b4\u30fc\u30c8\u4eee\u8aac\uff08\u5f8c\u65e5\u89e3\u8aac\u3057\u307e\u3059\uff09
\nequation of motion\u3000\u904b\u52d5\u65b9\u7a0b\u5f0f
\nretrospective
\n…in an atempt to ameliorate structure-based drug discovery modeling, vis-a-vis the need for many modeled comounds,… to discern critical intermolecular contacts…
\nameliorate\u3000\u6539\u5584\u3059\u308b
\nvis-a-vis\u3000\u30f4\u30a3\u30b6\u30f4\u30a3\u3000\uff5e\u306b\u5bfe\u3059\u308b \u30d5\u30e9\u30f3\u30b9\u8a9e\u3067\u3059\u304c\u3001vis\u304c\u4f55\u304b\u306f\u8abf\u67fb\u4e2d\u3002vivre\u751f\u304d\u308b, voir\u898b\u308b\u3000\u306e\u6d3b\u7528\u5f62\u306bvis\u304c\u3042\u308a\u3001\u540d\u8a5e\u3067 vis \u306f\u300c\u306d\u3058\u300d
\n\u5c0f\u306d\u3058\u3092\u300c\u30d3\u30b9\u300d\u3068\u3044\u3046\u306e\u306f\u30d5\u30e9\u30f3\u30b9\u8a9e\u306evis\u304c\u8a9e\u6e90\u3060\u305d\u3046\u3067\u3059\u3002
\nt^ete-a-t^ete \u30c6\u30bf\u30c6\u3000\u5185\u5bc6\u306e\u3001\u5dee\u3057\u5411\u304b\u3044\u306e\u3001\u4e8c\u4eba\u3060\u3051\u306e\uff08\u5916\u4ea4\u7528\u8a9e\uff09\u3000t^ete \u306f\u30d5\u30e9\u30f3\u30b9\u8a9e\u3067\u300c\u982d\u300d
\ndiscern \u8b58\u5225\u3059\u308b\u3000\u30c7\u30a3\u300c\u30b5\u300d\u30fc\u30f3\u3000level 6
\nconstraints \u5236\u7d04<\/p>\n","protected":false},"excerpt":{"rendered":"
\u6628\u65e5\u5206\u306b\u8a02\u6b63\u304c\u3042\u308a\u307e\u3059\u3002\u30d7\u30ed\u30b0\u30e9\u30e0LAMMPS\u3092\u88fd\u4f5c\u7ba1\u7406\u3057\u3066\u3044\u308b\u306e\u306fLos Alamos\u3067\u306f\u306a\u304f\u3066\u3001\u7c73\u56fd\u306e Sandia \u56fd\u7acb\u7814\u7a76\u6240\u3068Temple\u5927\u5b66\u3067\u3057\u305f\u3002\u304a\u308f\u3073\u3057\u307e\u3059\u3002Sandia\u56fd\u7acb\u7814\u7a76\u6240\u306b\u3064\u3044\u3066\u306f\u6765\u9031\u7d39\u4ecb\u3057\u307e\u3057\u3087\u3046\u3002 LAMMPS\u306f\u3001\u5206\u5b50\u52d5\u529b\u5b66\u3068\u547c\u3070\u308c\u308b\u8a08\u7b97\u3092\u884c\u3044\u307e\u3059\u3002\u79c1\u304c\u6700\u8fd1\u884c\u3063\u305f\u84b8\u7740\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u4f8b\u3092\u793a\u3057\u307e\u3059\u3002 700K\u306b\u8a2d\u5b9a\u3000https:\/\/www.youtube.com\/watch?v=F0Hi9NkacY8 100K\u306b\u8a2d\u5b9a\u3000https:\/\/www.youtube.com\/watch?v=-FVRxe3D5pM \u5b9f\u969b\u3068\u6bd4\u8f03\u3059\u308b\u3068\u84b8\u7740\u5206\u5b50\u306e\u901f\u5ea6\u306f\u3060\u3044\u305f\u3044\u3053\u308c\u304f\u3089\u3044\u3001\u65b0\u305f\u306a\u5206\u5b50…<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"om_disable_all_campaigns":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[42,44],"tags":[5,7],"class_list":["post-1285","post","type-post","status-publish","format-standard","hentry","category-tech","category-materials","tag-tech","tag-materials"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts\/1285","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1285"}],"version-history":[{"count":0,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts\/1285\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1285"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=1285"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=1285"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}