Nicholas J. H. Dunn

Van der Waals Perspective on Coarse-Graining: Progress toward Solving Representability and Transferability Problems

Nicholas J. H. Dunn, Thomas Foley, W. G. Noid · Accounts of Chemical Research · 2016 · 109 citations

Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids

Nicholas J. H. Dunn, W. G. Noid · The Journal of Chemical Physics · 2015 · 99 citations

pH-Dependent cis → trans Isomerization Rates for Azobenzene Dyes in Aqueous Solution

Nicholas J. H. Dunn, William H. Humphries, Adam R. Offenbacher et al. · The Journal of Physical Chemistry A · 2009 · 90 citations

Engineering, Organic Chemistry, Chemistry +17

Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures

Nicholas J. H. Dunn, W. G. Noid · The Journal of Chemical Physics · 2016 · 56 citations

Engineering, Heptane-toluene Mixtures, Material Simulation +23

BOCS: Bottom-up Open-source Coarse-graining Software

Nicholas J. H. Dunn, Kathryn M. Lebold, Michael R. DeLyser et al. · The Journal of Physical Chemistry B · 2017 · 51 citations

Engineering, Software Engineering, Experimental Thermodynamics +28