Efficient newton-raphson/singular value decomposition-based optimization scheme with dynamically updated critical condition number for rapid convergence of weighted histogram analysis method equations

Efficient newton-raphson/singular value decomposition-based optimization scheme with dynamically updated critical condition number for rapid convergence of weighted histogram analysis method equations

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 41(2020), 3 vom: 30. Jan., Seite 240-246
1. Verfasser: Mukhopadhyay, Roma (VerfasserIn)
Weitere Verfasser: Talipov, Marat R
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2020
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article n-alkane dithiols critical condition number force field parameterization optimization success rate potential of mean force
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