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The Journal of Physical Chemistry. B|November 18, 2023
Heat Transfer in Gold Interfaces Capped with Thiolated Polyethylene Glycol: A Molecular Dynamics StudySydney A Shavalier, J Daniel GezelterJournal of Chemical Information and Modeling|January 13, 2025
Thermal Transport through CTAB- and MTAB-Functionalized Gold Interfaces Using Molecular Dynamics SimulationsSydney A Shavalier, J Daniel GezelterThe Journal of Chemical Physics|November 2, 2010
A gentler approach to RNEMD: nonisotropic velocity scaling for computing thermal conductivity and shear viscosityShenyu Kuang, J Daniel GezelterThe Journal of Physical Chemistry. B|January 30, 2008
Dipolar ordering in the ripple phases of molecular-scale models of lipid membranesXiuquan Sun, J Daniel GezelterPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|May 16, 2007
Spontaneous corrugation of dipolar membranesXiuquan Sun, J Daniel GezelterThe Journal of Chemical Physics|July 11, 2006
Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostaticsChristopher J Fennell, J Daniel GezelterThe Journal of Chemical Physics|July 23, 2004
On the structural and transport properties of the soft sticky dipole and related single-point water modelsChristopher J Fennell, J Daniel GezelterThe Journal of Physical Chemistry Letters|June 20, 2018
Why is Ice Slippery? Simulations of Shear Viscosity of the Quasi-Liquid Layer on IcePatrick B Louden, J Daniel GezelterJournal of Chemical Theory and Computation|December 8, 2015
Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice IhChristopher J Fennell, J Daniel GezelterThe Journal of Chemical Physics|December 11, 2013
Simulations of solid-liquid friction at ice-I(h)/water interfacesPatrick B Louden, J Daniel GezelterPageof 3