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The Journal of Chemical Physics|February 28, 2021
Can we define a unique microscopic pressure in inhomogeneous fluids?Kaihang Shi, Erik E Santiso, Keith E Gubbins
ACS Applied Materials & Interfaces|September 14, 2020
Effect of Poly(vinyl butyral) Comonomer Sequence on Adhesion to Amorphous Silica: A Coarse-Grained Molecular Dynamics StudyChristopher C Walker, Jan Genzer, Erik E Santiso
The Journal of Physical Chemistry. B|July 27, 2011
Computer simulations of homogeneous nucleation of benzene from the meltManas Shah, Erik E Santiso, Bernhardt L Trout
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 11, 2011
Sequestration and selective oxidation of carbon monoxide on graphene edgesSujata Paul, Erik E Santiso, Marco Buongiorno Nardelli
Langmuir : the ACS Journal of Surfaces and Colloids|April 9, 2019
Bottom-Up Approach to the Coarse-Grained Surface Model: Effective Solid-Fluid Potentials for Adsorption on Heterogeneous SurfacesKaihang Shi, Erik E Santiso, Keith E Gubbins
The Journal of Physical Chemistry. B|November 4, 2024
In Silico Structural Comparison of Aromatic and Aliphatic Chiral Peptoid OligomersRakshit Kumar Jain, Carol K Hall, Erik E Santiso
The Journal of Chemical Physics|September 16, 2019
Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)Jennifer A Clark, Erik E Santiso, Amalie L Frischknecht
The Journal of Chemical Physics|January 22, 2008
A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbonsErik E Santiso, Marco Buongiorno Nardelli, Keith E Gubbins
Journal of Chemical Theory and Computation|November 8, 2023
Using Enhanced Sampling Simulations to Study the Conformational Space of Chiral Aromatic Peptoid MonomersRakshit Kumar Jain, Carol K Hall, Erik E Santiso
The Journal of Chemical Physics|October 3, 2015
Molecular simulation of homogeneous nucleation of crystals of an ionic liquid from the meltXiaoxia He, Yan Shen, Francisco R Hung, et al.
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