A variational method for efficient estimation of diffusion and free-energy profiles along collective variables.

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Title: A variational method for efficient estimation of diffusion and free-energy profiles along collective variables.
Authors: Hubman A; Laboratory for Molecular Structural Dynamics, Theory Department, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia.; Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, 1000 Ljubljana, Slovenia., Merzel F; Laboratory for Molecular Structural Dynamics, Theory Department, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia.
Source: The Journal of chemical physics [J Chem Phys] 2026 May 07; Vol. 164 (17).
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Hubman+A%22">Hubman A</searchLink>; Laboratory for Molecular Structural Dynamics, Theory Department, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia.; Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, 1000 Ljubljana, Slovenia.<br /><searchLink fieldCode="AU" term="%22Merzel+F%22">Merzel F</searchLink>; Laboratory for Molecular Structural Dynamics, Theory Department, National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia.
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  Data: <searchLink fieldCode="JN" term="%220375360%22">The Journal of chemical physics</searchLink> [J Chem Phys] 2026 May 07; Vol. 164 (17).
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Institute+of+Physics%22">American Institute of Physics </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0375360 <i>Publication Model: </i>Print <i>Cited Medium: </i>Internet <i>ISSN: </i>1089-7690 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200219606%22">00219606 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1063/5.0320540
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        Text: English
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      – TitleFull: A variational method for efficient estimation of diffusion and free-energy profiles along collective variables.
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            – D: 07
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              Text: 2026 May 07
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              Y: 2026
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              Value: 17
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