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List of works by Christopher R Iacovella

A Coarse-Grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS.

scientific article published on 26 August 2016

Atomistic simulations of highly conductive molecular transport junctions under realistic conditions

scientific article published on 03 April 2013

Complex crystal structures formed by the self-assembly of ditethered nanospheres

scientific article published on 01 March 2009

Composition Dependence of Water Permeation Across Multicomponent Gel-Phase Bilayers

scientific article published on 5 March 2018

Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion. ⬇️

scientific article

Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers

scientific article published in January 2018

Examination of the phase transition behavior of nano-confined fluids by statistical temperature molecular dynamics.

scientific article published in August 2015

Examining Tail and Headgroup Effects on Binary and Ternary Gel-Phase Lipid Bilayer Structure

scientific article published on 07 April 2020

Examining the aggregation behavior of polymer grafted nanoparticles using molecular simulation and theory

scientific article

Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods

scientific article

Influence of Single-Stranded DNA Coatings on the Interaction between Graphene Nanoflakes and Lipid Bilayers

scientific article published on 28 August 2019

Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study

scientific article published on 17 February 2016

Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation.

scientific article

Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers

scientific article published on August 2016

Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation.

scientific article published on 19 April 2019

Large-scale atomistic simulations of environmental effects on the formation and properties of molecular junctions

scientific article published on 23 February 2012

MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films

scientific article published on 02 March 2020

Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective.

scientific article

Molecular dynamics study of alkylsilane monolayers on realistic amorphous silica surfaces

scientific article published on 6 March 2015

Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

scientific article published in 2021

Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities

scientific article published on 30 May 2017

Phase diagrams of self-assembled mono-tethered nanospheres from molecular simulation and comparison to surfactants.

scientific article published in October 2005

Probing the Statistical Validity of the Ductile-to-Brittle Transition in Metallic Nanowires Using GPU Computing.

scientific article published on 22 November 2013

Role of polytetrahedral structures in the elongation and rupture of gold nanowires

scientific article published on 04 November 2011

Self-assembly of soft-matter quasicrystals and their approximants

scientific article published on 12 December 2011

Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid head group chemistry

scientific article

Structural Origins of Conductance Fluctuations in Gold-Thiolate Molecular Transport Junctions

scientific article published on 6 March 2013

Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation

scientific article published on 01 May 2015

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