[{"@context":"http:\/\/schema.org\/","@type":"BlogPosting","@id":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/290767#BlogPosting","mainEntityOfPage":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/290767","headline":"\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5 – Wikipedia","name":"\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5 – Wikipedia","description":"\u914d\u7f6e\u7a7a\u9593\u306e2\u3064\u306e\u9818\u57df\u3092\u5206\u3051\u308b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u969c\u58c1\u3092\u6301\u3064\u30a8\u30cd\u30eb\u30ae\u30fc\u5730\u5f62\uff08\u4e0b\u56f3\uff09\u306b\u304a\u3044\u3066\u3001\u597d\u307e\u3057\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u69cb\u9020\uff08\u4e0a\u56f3\uff09\u3068\u6bd4\u8f03\u3057\u3066\u3001\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b5\u30f3\u30d7\u30eb\u6cd5\u306f\u71b1\u529b\u5b66\u30c7\u30fc\u30bf\u3092\u7cbe\u78ba\u306b\u8a08\u7b97\u3059\u308b\u305f\u3081\u306b\u5341\u5206\u306a\u914d\u7f6e\u7bc4\u56f2\u5168\u4f53\u306b\u308f\u305f\u3063\u3066\u7cfb\u3092\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3067\u304d\u306a\u3044\u3002 \u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\uff08\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u307b\u3046 \u82f1: Umbrella sampling\u3001\u5098\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3068\u3082\uff09\u306f\u3001\u8a08\u7b97\u7269\u7406\u5b66\u304a\u3088\u3073\u8a08\u7b97\u5316\u5b66\u306e\u624b\u6cd5\u306e\u4e00\u3064\u3067\u3042\u308a\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u5730\u5f62\u306e\u5f62\u72b6\u306b\u3088\u3063\u3066\u30a8\u30eb\u30b4\u30fc\u30c9\u6027\uff08\u82f1\u8a9e\u7248\uff09\u304c\u59a8\u3052\u3089\u308c\u308b\u7cfb\u306e\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3092\u6539\u5584\u3059\u308b\u305f\u3081\u306b\u7528\u3044\u3089\u308c\u308b\u30021977\u5e74\u306b\u3001Torrie\u304a\u3088\u3073Valleau\u306b\u3088\u3063\u3066\u521d\u3081\u3066\u63d0\u6848\u3055\u308c\u305f[1]\u3002\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\u306f\u7d71\u8a08\u5b66\u306b\u304a\u3044\u3066\u3088\u308a\u4e00\u822c\u7684\u306a\u91cd\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\uff08\u82f1\u8a9e\u7248\uff09\u306e\u7279\u5225\u306a\u7269\u7406\u5b66\u7684\u5fdc\u7528\u3067\u3042\u308b\u3002 \u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u304c\u914d\u7f6e\u7a7a\u9593\u306e2\u3064\u306e\u9818\u57df\u3092\u9694\u3066\u3066\u3044\u308b\u7cfb\u3067\u306f\u3001\u4e0d\u5341\u5206\u306a\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u306b\u60a9\u307e\u3055\u308c\u308b\u3002\u30e1\u30c8\u30ed\u30dd\u30ea\u30b9\u30fb\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u306f\u3001\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u969c\u58c1\u3092\u4e57\u308a\u8d8a\u3048\u308b\u4f4e\u3044\u78ba\u7387\u306f\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u3063\u3066\u4e0d\u5341\u5206\u306b\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u308b\u3001\u307e\u305f\u306f\u5168\u304f\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u306a\u3044\u5230\u9054\u3057\u306b\u304f\u3044\u914d\u7f6e\u304c\u6b8b\u308b\u53ef\u80fd\u6027\u304c\u3042\u308b\u3002\u5bb9\u6613\u306b\u601d\u3044\u6d6e\u304b\u3079\u3089\u308c\u308b\u4f8b\u306f\u878d\u70b9\u306b\u304a\u3051\u308b\u56fa\u4f53\u3067\u8d77\u3053\u308b\u3002\u79e9\u5e8f\u30d1\u30e9\u30e1\u30fc\u30bf Q \u3092\u6301\u3064\u7cfb\u306e\u72b6\u614b\u3092\u8003\u3048\u308b\u3068\u3001\u6db2\u76f8\uff08\u4f4e\u3044Q\uff09\u3068\u56fa\u76f8 \uff08\u9ad8\u3044 Q\uff09\u306e\u3069\u3061\u3089\u3082\u30a8\u30cd\u30eb\u30ae\u30fc\u7684\u306b\u4f4e\u3044\u304c\u3001Q \u306e\u4e2d\u9593\u306e\u5024\u3067\u306e\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u306b\u3088\u3063\u3066\u9694\u3066\u3089\u308c\u3066\u3044\u308b\u3002\u3053\u308c\u306b\u3088\u3063\u3066\u4e21\u65b9\u306e\u76f8\u306e\u5341\u5206\u306a\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3092\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u306a\u3044\u3002 \u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\u306f\u3053\u306e\u72b6\u6cc1\u306b\u304a\u3051\u308b\u56f0\u96e3\u3092\u4e57\u308a\u8d8a\u3048\u308b\u65b9\u6cd5\u306e\u4e00\u3064\u3067\u3042\u308b\u3002\u3053\u306e\u65b9\u6cd5\u3067\u306f\u3001\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3067\u6a19\u6e96\u7684\u306b\u7528\u3044\u3089\u308c\u308b\u30dc\u30eb\u30c4\u30de\u30f3\u91cd\u307f\u4ed8\u3051\u3092\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u306e\u5f71\u97ff\u3092\u6253\u3061\u6d88\u3059\u3088\u3046\u9078\u3070\u308c\u305f\u91cd\u307f\u306b\u7f6e\u304d\u63db\u3048\u308b\u3002\u751f\u6210\u3055\u308c\u305f\u30de\u30eb\u30b3\u30d5\u9023\u9396\u306f\u3001\u4ee5\u4e0b\u306e\u5f0f\u3067\u4e0e\u3048\u3089\u308c\u308b\u78ba\u7387\u5206\u5e03\u3092\u6301\u3064\u3002 \u03c0(rN)=w(rN)exp\u2061(\u2212U(rN)kBT)\u222bw(r\u2032N)exp\u2061(\u2212U(r\u2032N)kBT)dr\u2032N,{displaystyle pi (mathbf {r} ^{N})={frac {w({textbf {r}}^{N})exp {left(-{frac","datePublished":"2022-04-26","dateModified":"2022-04-26","author":{"@type":"Person","@id":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/author\/lordneo#Person","name":"lordneo","url":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/author\/lordneo","image":{"@type":"ImageObject","@id":"https:\/\/secure.gravatar.com\/avatar\/c9645c498c9701c88b89b8537773dd7c?s=96&d=mm&r=g","url":"https:\/\/secure.gravatar.com\/avatar\/c9645c498c9701c88b89b8537773dd7c?s=96&d=mm&r=g","height":96,"width":96}},"publisher":{"@type":"Organization","name":"Enzyklop\u00e4die","logo":{"@type":"ImageObject","@id":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/11\/book.png","url":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/11\/book.png","width":600,"height":60}},"image":{"@type":"ImageObject","@id":"https:\/\/upload.wikimedia.org\/wikipedia\/commons\/c\/ca\/Ergodicity.gif","url":"https:\/\/upload.wikimedia.org\/wikipedia\/commons\/c\/ca\/Ergodicity.gif","height":"356","width":"219"},"url":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/290767","about":["Wiki"],"wordCount":2266,"articleBody":"  \u914d\u7f6e\u7a7a\u9593\u306e2\u3064\u306e\u9818\u57df\u3092\u5206\u3051\u308b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u969c\u58c1\u3092\u6301\u3064\u30a8\u30cd\u30eb\u30ae\u30fc\u5730\u5f62\uff08\u4e0b\u56f3\uff09\u306b\u304a\u3044\u3066\u3001\u597d\u307e\u3057\u3044\u30a8\u30cd\u30eb\u30ae\u30fc\u69cb\u9020\uff08\u4e0a\u56f3\uff09\u3068\u6bd4\u8f03\u3057\u3066\u3001\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b5\u30f3\u30d7\u30eb\u6cd5\u306f\u71b1\u529b\u5b66\u30c7\u30fc\u30bf\u3092\u7cbe\u78ba\u306b\u8a08\u7b97\u3059\u308b\u305f\u3081\u306b\u5341\u5206\u306a\u914d\u7f6e\u7bc4\u56f2\u5168\u4f53\u306b\u308f\u305f\u3063\u3066\u7cfb\u3092\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3067\u304d\u306a\u3044\u3002\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\uff08\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u307b\u3046 \u82f1: Umbrella sampling\u3001\u5098\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3068\u3082\uff09\u306f\u3001\u8a08\u7b97\u7269\u7406\u5b66\u304a\u3088\u3073\u8a08\u7b97\u5316\u5b66\u306e\u624b\u6cd5\u306e\u4e00\u3064\u3067\u3042\u308a\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u5730\u5f62\u306e\u5f62\u72b6\u306b\u3088\u3063\u3066\u30a8\u30eb\u30b4\u30fc\u30c9\u6027\uff08\u82f1\u8a9e\u7248\uff09\u304c\u59a8\u3052\u3089\u308c\u308b\u7cfb\u306e\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3092\u6539\u5584\u3059\u308b\u305f\u3081\u306b\u7528\u3044\u3089\u308c\u308b\u30021977\u5e74\u306b\u3001Torrie\u304a\u3088\u3073Valleau\u306b\u3088\u3063\u3066\u521d\u3081\u3066\u63d0\u6848\u3055\u308c\u305f[1]\u3002\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\u306f\u7d71\u8a08\u5b66\u306b\u304a\u3044\u3066\u3088\u308a\u4e00\u822c\u7684\u306a\u91cd\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\uff08\u82f1\u8a9e\u7248\uff09\u306e\u7279\u5225\u306a\u7269\u7406\u5b66\u7684\u5fdc\u7528\u3067\u3042\u308b\u3002  \u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u304c\u914d\u7f6e\u7a7a\u9593\u306e2\u3064\u306e\u9818\u57df\u3092\u9694\u3066\u3066\u3044\u308b\u7cfb\u3067\u306f\u3001\u4e0d\u5341\u5206\u306a\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u306b\u60a9\u307e\u3055\u308c\u308b\u3002\u30e1\u30c8\u30ed\u30dd\u30ea\u30b9\u30fb\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u306f\u3001\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u969c\u58c1\u3092\u4e57\u308a\u8d8a\u3048\u308b\u4f4e\u3044\u78ba\u7387\u306f\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u3063\u3066\u4e0d\u5341\u5206\u306b\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u308b\u3001\u307e\u305f\u306f\u5168\u304f\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u306a\u3044\u5230\u9054\u3057\u306b\u304f\u3044\u914d\u7f6e\u304c\u6b8b\u308b\u53ef\u80fd\u6027\u304c\u3042\u308b\u3002\u5bb9\u6613\u306b\u601d\u3044\u6d6e\u304b\u3079\u3089\u308c\u308b\u4f8b\u306f\u878d\u70b9\u306b\u304a\u3051\u308b\u56fa\u4f53\u3067\u8d77\u3053\u308b\u3002\u79e9\u5e8f\u30d1\u30e9\u30e1\u30fc\u30bf Q \u3092\u6301\u3064\u7cfb\u306e\u72b6\u614b\u3092\u8003\u3048\u308b\u3068\u3001\u6db2\u76f8\uff08\u4f4e\u3044Q\uff09\u3068\u56fa\u76f8 \uff08\u9ad8\u3044 Q\uff09\u306e\u3069\u3061\u3089\u3082\u30a8\u30cd\u30eb\u30ae\u30fc\u7684\u306b\u4f4e\u3044\u304c\u3001Q \u306e\u4e2d\u9593\u306e\u5024\u3067\u306e\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u306b\u3088\u3063\u3066\u9694\u3066\u3089\u308c\u3066\u3044\u308b\u3002\u3053\u308c\u306b\u3088\u3063\u3066\u4e21\u65b9\u306e\u76f8\u306e\u5341\u5206\u306a\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3092\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u306a\u3044\u3002\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\u306f\u3053\u306e\u72b6\u6cc1\u306b\u304a\u3051\u308b\u56f0\u96e3\u3092\u4e57\u308a\u8d8a\u3048\u308b\u65b9\u6cd5\u306e\u4e00\u3064\u3067\u3042\u308b\u3002\u3053\u306e\u65b9\u6cd5\u3067\u306f\u3001\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3067\u6a19\u6e96\u7684\u306b\u7528\u3044\u3089\u308c\u308b\u30dc\u30eb\u30c4\u30de\u30f3\u91cd\u307f\u4ed8\u3051\u3092\u3001\u30a8\u30cd\u30eb\u30ae\u30fc\u969c\u58c1\u306e\u5f71\u97ff\u3092\u6253\u3061\u6d88\u3059\u3088\u3046\u9078\u3070\u308c\u305f\u91cd\u307f\u306b\u7f6e\u304d\u63db\u3048\u308b\u3002\u751f\u6210\u3055\u308c\u305f\u30de\u30eb\u30b3\u30d5\u9023\u9396\u306f\u3001\u4ee5\u4e0b\u306e\u5f0f\u3067\u4e0e\u3048\u3089\u308c\u308b\u78ba\u7387\u5206\u5e03\u3092\u6301\u3064\u3002  \u03c0(rN)=w(rN)exp\u2061(\u2212U(rN)kBT)\u222bw(r\u2032N)exp\u2061(\u2212U(r\u2032N)kBT)dr\u2032N,{displaystyle pi (mathbf {r} ^{N})={frac {w({textbf {r}}^{N})exp {left(-{frac {U(mathbf {r} ^{N})}{k_{B}T}}right)}}{int {w(mathbf {r^{prime }} ^{N})exp {left(-{frac {U(mathbf {r^{prime }} ^{N})}{k_{B}T}}right)}dmathbf {r^{prime }} ^{N}}}},}\u4e0a\u5f0f\u306b\u304a\u3044\u3066\u3001U \u306f\u771f\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u3001w(rN) \u306f\u30dc\u30eb\u30c4\u30de\u30f3\u91cd\u307f\u4ed8\u3051\u30e2\u30f3\u30c6\u30ab\u30eb\u30ed\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u306f\u8fd1\u3065\u304d\u96e3\u3044\u914d\u7f6e\u3092\u4fc3\u9032\u3059\u308b\u3088\u3046\u9078\u3070\u308c\u305f\u95a2\u6570\u3067\u3042\u308b\u3002\u4e0a\u8a18\u306e\u4f8b\u306b\u304a\u3044\u3066\u3001w \u306f w = w(Q) \u304c\u4e2d\u9593\u306e Q \u3067\u9ad8\u3044\u5024\u3001\u4f4e\u3044\/\u9ad8\u3044 Q \u3067\u4f4e\u3044\u5024\u3092\u53d6\u308a\u3001\u969c\u58c1\u306e\u4e57\u308a\u8d8a\u3048\u3092\u5bb9\u6613\u306b\u3059\u308b\u3088\u3046\u306b\u9078\u3070\u308c\u308b\u3002\u3053\u306e\u3088\u3046\u306a\u3084\u308a\u65b9\u3067\u884c\u308f\u308c\u308b\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u5b9f\u884c\u304b\u3089\u63a8\u5b9a\u3055\u308c\u308b\u71b1\u529b\u5b66\u7279\u6027 A \u306f\u4ee5\u4e0b\u306e\u5f0f\u306b\u3088\u3063\u3066\u30ab\u30ce\u30cb\u30ab\u30eb\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb\u5024\u3078\u3068\u5909\u63db\u3067\u304d\u308b\u3002  \u27e8A\u27e9=\u27e8A\/w\u27e9\u03c0\u27e81\/w\u27e9\u03c0{displaystyle langle Arangle ={frac {langle A\/wrangle _{pi }}{langle 1\/wrangle _{pi }}}}\u6dfb\u5b57 \u03c0 \u306f\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u305f\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304b\u3089\u306e\u5024\u3067\u3042\u308b\u3053\u3068\u3092\u793a\u3057\u3066\u3044\u308b\u3002\u91cd\u307f\u95a2\u6570 w(rN) \u3092\u5c0e\u5165\u3059\u308b\u3053\u3068\u306e\u52b9\u679c\u306f\u7cfb\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u306b\u30d0\u30a4\u30a2\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb V(rN) \u3092\u52a0\u3048\u308b\u306e\u3068\u7b49\u4fa1\u3067\u3042\u308b\u3002V(rN)=\u2212kBTln\u2061w(rN){displaystyle V(mathbf {r} ^{N})=-k_{B}Tln w(mathbf {r} ^{N})}\u30d0\u30a4\u30a2\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u304c\u53b3\u5bc6\u306b\u53cd\u5fdc\u5ea7\u6a19\u307e\u305f\u306f\u79e9\u5e8f\u30d1\u30e9\u30e1\u30fc\u30bf Q \u306e\u95a2\u6570\u306a\u3089\u3070\u3001\u6b21\u306b\u53cd\u5fdc\u5ea7\u6a19\u306e\uff08\u30d0\u30a4\u30a2\u30b9\u306e\u306a\u3044\uff09\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u306f\u30d0\u30a4\u30a2\u30b9\u3092\u53d7\u3051\u305f\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u304b\u3089\u30d0\u30a4\u30a2\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u5dee\u3057\u5f15\u304f\u3053\u3068\u3067\u8a08\u7b97\u3067\u304d\u308b\u3002F0(Q)=F\u03c0(Q)\u2212V(Q){displaystyle F_{0}(Q)=F_{pi }(Q)-V(Q)}\u4e0a\u5f0f\u306b\u304a\u3044\u3066\u3001 F0(Q) \u306f\u30d0\u30a4\u30a2\u30b9\u306e\u306a\u3044\u7cfb\u306e\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u3001 F\u03c0(Q) \u306f\u30d0\u30a4\u30a2\u30b9\u3092\u53d7\u3051\u305f\uff08\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u3055\u308c\u305f\uff09\u7cfb\u306b\u3064\u3044\u3066\u8a08\u7b97\u3055\u308c\u305f\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u3067\u3042\u308b\u3002\u4e00\u9023\u306e\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306f\u91cd\u307f\u4ed8\u304d\u30d2\u30b9\u30c8\u30b0\u30e9\u30e0\u89e3\u6790\u6cd5\uff08weighted histogram analysis method, WHAM\uff09[2]\u3042\u308b\u3044\u306f\u305d\u306e\u4e00\u822c\u5316[3]\u3092\u7528\u3044\u3066\u89e3\u6790\u3067\u304d\u308b\u3002WHAM\u306f\u6700\u5c24\u6cd5\u3092\u4f7f\u3063\u3066\u5c0e\u304f\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u5e73\u5747\u529b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u307e\u305f\u306f\u53cd\u5fdc\u901f\u5ea6\u3092\u8a08\u7b97\u3059\u308b\u305f\u3081\u306e\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\u306b\u4ee3\u308f\u308b\u65b9\u6cd5\u3068\u3057\u3066\u306f\u3001\u81ea\u7531\u30a8\u30cd\u30eb\u30ae\u30fc\u6442\u52d5\u6cd5\u3068\u9077\u79fb\u30a4\u30f3\u30bf\u30fc\u30d5\u30a7\u30fc\u30b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5\uff08\u82f1\u8a9e\u7248\uff09\u304c\u3042\u308b\u3002\u5b8c\u5168\u306a\u975e\u5e73\u8861\u306b\u304a\u3044\u3066\u6a5f\u80fd\u3059\u308b\u5225\u306e\u65b9\u6cd5\u3068\u3057\u3066S-PRES\uff08Stochastic process rare event sampling\uff09\u6cd5\u304c\u3042\u308b\u3002^ Torrie, G. M.; Valleau, J. P. (1977). \u201cNonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling\u201d. J. Comput. Phys. 23 (2):  187-199. doi:10.1016\/0021-9991(77)90121-8.\u00a0^ Kumar, Shankar; Rosenberg, John M.; Bouzida, Djamal; Swendsen, Robert H.; Kollman, Peter A. (30 September 1992). \u201cTHE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method\u201d. Journal of Computational Chemistry 13 (8):  1011\u20131021. doi:10.1002\/jcc.540130812.\u00a0^ Bartels, C (7 December 2000). \u201cAnalyzing biased Monte Carlo and molecular dynamics simulations\u201d. Chemical Physics Letters 331 (5-6):  446\u2013454. Bibcode:\u00a02000CPL…331..446B. doi:10.1016\/S0009-2614(00)01215-X.\u00a0\u95a2\u9023\u9805\u76ee[\u7de8\u96c6]"},{"@context":"http:\/\/schema.org\/","@type":"BreadcrumbList","itemListElement":[{"@type":"ListItem","position":1,"item":{"@id":"https:\/\/wiki.edu.vn\/jp\/wiki28\/#breadcrumbitem","name":"Enzyklop\u00e4die"}},{"@type":"ListItem","position":2,"item":{"@id":"https:\/\/wiki.edu.vn\/jp\/wiki28\/archives\/290767#breadcrumbitem","name":"\u30a2\u30f3\u30d6\u30ec\u30e9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0\u6cd5 – Wikipedia"}}]}]