ArticleACS omega2026
Development of United-Atom Force Fields for Monomeric and Oligomeric Ionic Liquids through Regression-Guided Optimization of Electronic Continuum Correction Parameters.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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4 authors.
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Abstract
Ionic liquids are salts that exist in the liquid state at room temperature and exhibit high viscosity because of their strong electrostatic interactions. It was difficult to reproduce their viscosity by molecular dynamics simulations with conventional nonpolarizable force fields; however, recent development of force fields implementing electronic continuum correction (ECC), which accounts for polarizability, has enabled accurate predictions. Here, we present a regression-guided strategy to optimize scaling factors for ECC charges and Lennard-Jones parameters for monomeric (BMIM
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