Erik E Santiso

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 10

Top Topics

Molecular Dynamics

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry. B

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Rakshit Kumar Jain, Carol K Hall, Erik E Santiso
Using Enhanced Sampling Simulations to Study the Conformational Space of Chiral Aromatic Peptoid Monomers. Journal of chemical theory and computation (2023)
Kaihang Shi, Edward Ronald Smith, Erik E Santiso, Keith E Gubbins
A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges. The Journal of chemical physics 158 (4) (2023)
Jennifer A Clark, Erik E Santiso
SAFT-γ-Mie Cross-Interaction Parameters from Density Functional Theory-Predicted Multipoles of Molecular Fragments for Carbon Dioxide, Benzene, Alkanes, and Water. The journal of physical chemistry. B 125 (15) (2021)
Jennifer A Clark, Pranav J Thacker, Charles J McGill, Jason R Miles, Phillip R Westmoreland, Kirill Efimenko, Jan Genzer, Erik E Santiso
DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol. The journal of physical chemistry. A 125 (23) (2021)
Kaihang Shi, Yifan Shen, Erik E Santiso, Keith E Gubbins
Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube. Journal of chemical theory and computation 16 (9) (2020)
Christopher C Walker, Jan Genzer, Erik E Santiso
Effect of Poly(vinyl butyral) Comonomer Sequence on Adhesion to Amorphous Silica: A Coarse-Grained Molecular Dynamics Study. ACS applied materials & interfaces 12 (42) (2020)
Kaihang Shi, Erik E Santiso, Keith E Gubbins
Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces. Langmuir : the ACS journal of surfaces and colloids 36 (7) (2020)
Jennifer A Clark, Erik E Santiso, Amalie L Frischknecht
Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes). The Journal of chemical physics 151 (10) (2019)
Christopher C Walker, Jan Genzer, Erik E Santiso
Development of a fused-sphere SAFT-γ Mie force field for poly(vinyl alcohol) and poly(ethylene). The Journal of chemical physics 150 (3) (2019)
Laura J Weiser, Erik E Santiso
A CGenFF-based force field for simulations of peptoids with both cis and trans peptide bonds. Journal of computational chemistry 40 (22) (2019)