http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=Umbrella_sampling
Umbrella sampling - Revision history
2026-04-29T01:03:01Z
Revision history for this page on the wiki
MediaWiki 1.41.0
http://www.sklogwiki.org/SklogWiki/index.php?title=Umbrella_sampling&diff=13079&oldid=prev
Carl McBride: /* References */ Added a recent publication
2012-09-19T10:57:33Z
<p><span dir="auto"><span class="autocomment">References: </span> Added a recent publication</span></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:57, 19 September 2012</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l9">Line 9:</td>
<td colspan="2" class="diff-lineno">Line 9:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.1739216 Peter Virnau and Marcus Müller "Calculation of free energy through successive umbrella sampling", Journal of Chemical Physics '''120''' 10925 (2004)]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.1739216 Peter Virnau and Marcus Müller "Calculation of free energy through successive umbrella sampling", Journal of Chemical Physics '''120''' 10925 (2004)]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.4729373 Johannes Kästner "Umbrella integration with higher-order correction terms", Journal of Chemical Physics '''136''' 234102 (2012)]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.4729373 Johannes Kästner "Umbrella integration with higher-order correction terms", Journal of Chemical Physics '''136''' 234102 (2012)]</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1063/1.4736317 Matthias U. Bohner and Johannes Kästner "An algorithm to find minimum free-energy paths using umbrella integration", Journal of Chemical Physics '''137''' 034105 (2012)]</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td></tr>
</table>
Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=Umbrella_sampling&diff=12915&oldid=prev
Carl McBride: /* References */ Added a recent publication
2012-06-18T10:40:35Z
<p><span dir="auto"><span class="autocomment">References: </span> Added a recent publication</span></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:40, 18 June 2012</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l8">Line 8:</td>
<td colspan="2" class="diff-lineno">Line 8:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>'''Related reading'''</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>'''Related reading'''</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.1739216 Peter Virnau and Marcus Müller "Calculation of free energy through successive umbrella sampling", Journal of Chemical Physics '''120''' 10925 (2004)]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.1739216 Peter Virnau and Marcus Müller "Calculation of free energy through successive umbrella sampling", Journal of Chemical Physics '''120''' 10925 (2004)]</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*[http://dx.doi.org/10.1063/1.4729373 Johannes Kästner "Umbrella integration with higher-order correction terms", Journal of Chemical Physics '''136''' 234102 (2012)]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td></tr>
</table>
Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=Umbrella_sampling&diff=8997&oldid=prev
Carl McBride: Added a reference.
2009-09-28T15:31:51Z
<p>Added a reference.</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:31, 28 September 2009</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td>
<td colspan="2" class="diff-lineno">Line 1:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>{{Stub-general}}</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>{{Stub-general}}</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>'''Umbrella sampling''' is a [[Monte Carlo]] technique for estimation of the [[Helmholtz energy function]].</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>'''Umbrella sampling''' <ins style="font-weight: bold; text-decoration: none;"><ref>[http://dx.doi.org/10.1016/0009-2614(74)80109-0 Glenn M. Torrie and John P. Valleau "Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid", Chemical Physics Letters '''28''' pp. 578-581 (1974)]</ref></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><ref>[http://dx.doi.org/10.1016/0021-9991(77)90121-8 G. M. Torrie and J. P. Valleau "Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling", Journal of Computational Physics '''23''' pp. 187-199 (1977)] </ref></ins>is a [[Monte Carlo]] technique for estimation of the [[Helmholtz energy function]].</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==Non-equilibrium processes==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==Non-equilibrium processes==</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.2784118 Aryeh Warmflash, Prabhakar Bhimalapuram, and Aaron R. Dinner "Umbrella sampling for nonequilibrium processes", Journal of Chemical Physics '''127''' 154112 (2007)]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>*[http://dx.doi.org/10.1063/1.2784118 Aryeh Warmflash, Prabhakar Bhimalapuram, and Aaron R. Dinner "Umbrella sampling for nonequilibrium processes", Journal of Chemical Physics '''127''' 154112 (2007)]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>==References==</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">#[http:</del>/<del style="font-weight: bold; text-decoration: none;">/dx.doi.org/10.1016/0009-2614(74)80109-0 Glenn M. Torrie and John P. Valleau "Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid", Chemical Physics Letters </del>'''<del style="font-weight: bold; text-decoration: none;">28</del>''' <del style="font-weight: bold; text-decoration: none;">pp. 578-581 (1974)]</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"><references</ins>/<ins style="font-weight: bold; text-decoration: none;">></ins></div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">#</del>[http://dx.doi.org/10.<del style="font-weight: bold; text-decoration: none;">1016</del>/<del style="font-weight: bold; text-decoration: none;">0021-9991(77)90121-8 G</del>. <del style="font-weight: bold; text-decoration: none;">M. Torrie </del>and <del style="font-weight: bold; text-decoration: none;">J. P. Valleau </del>"<del style="font-weight: bold; text-decoration: none;">Nonphysical sampling distributions in Monte Carlo </del>free<del style="font-weight: bold; text-decoration: none;">-</del>energy <del style="font-weight: bold; text-decoration: none;">estimation: Umbrella </del>sampling", Journal of <del style="font-weight: bold; text-decoration: none;">Computational </del>Physics <del style="font-weight: bold; text-decoration: none;"> </del>'''<del style="font-weight: bold; text-decoration: none;">23</del>''' <del style="font-weight: bold; text-decoration: none;">pp. 187-199 </del>(<del style="font-weight: bold; text-decoration: none;">1977</del>)]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>'''<ins style="font-weight: bold; text-decoration: none;">Related reading</ins>'''</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*</ins>[http://dx.doi.org/10.<ins style="font-weight: bold; text-decoration: none;">1063</ins>/<ins style="font-weight: bold; text-decoration: none;">1</ins>.<ins style="font-weight: bold; text-decoration: none;">1739216 Peter Virnau </ins>and <ins style="font-weight: bold; text-decoration: none;">Marcus Müller </ins>"<ins style="font-weight: bold; text-decoration: none;">Calculation of </ins>free energy <ins style="font-weight: bold; text-decoration: none;">through successive umbrella </ins>sampling", Journal of <ins style="font-weight: bold; text-decoration: none;">Chemical </ins>Physics '''<ins style="font-weight: bold; text-decoration: none;">120</ins>''' <ins style="font-weight: bold; text-decoration: none;">10925 </ins>(<ins style="font-weight: bold; text-decoration: none;">2004</ins>)]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[category: computer simulation techniques]]</div></td></tr>
</table>
Carl McBride
http://www.sklogwiki.org/SklogWiki/index.php?title=Umbrella_sampling&diff=4613&oldid=prev
Carl McBride: New page: {{Stub-general}} '''Umbrella sampling''' is a Monte Carlo technique for estimation of the Helmholtz energy function. ==Non-equilibrium processes== *[http://dx.doi.org/10.1063/1.278...
2007-10-19T10:46:21Z
<p>New page: {{Stub-general}} '''Umbrella sampling''' is a <a href="/SklogWiki/index.php/Monte_Carlo" title="Monte Carlo">Monte Carlo</a> technique for estimation of the <a href="/SklogWiki/index.php/Helmholtz_energy_function" title="Helmholtz energy function">Helmholtz energy function</a>. ==Non-equilibrium processes== *[http://dx.doi.org/10.1063/1.278...</p>
<p><b>New page</b></p><div>{{Stub-general}}<br />
'''Umbrella sampling''' is a [[Monte Carlo]] technique for estimation of the [[Helmholtz energy function]].<br />
==Non-equilibrium processes==<br />
*[http://dx.doi.org/10.1063/1.2784118 Aryeh Warmflash, Prabhakar Bhimalapuram, and Aaron R. Dinner "Umbrella sampling for nonequilibrium processes", Journal of Chemical Physics '''127''' 154112 (2007)]<br />
==References==<br />
#[http://dx.doi.org/10.1016/0009-2614(74)80109-0 Glenn M. Torrie and John P. Valleau "Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid", Chemical Physics Letters '''28''' pp. 578-581 (1974)]<br />
#[http://dx.doi.org/10.1016/0021-9991(77)90121-8 G. M. Torrie and J. P. Valleau "Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling", Journal of Computational Physics '''23''' pp. 187-199 (1977)]<br />
[[category: computer simulation techniques]]</div>
Carl McBride