Clare McCabe
www.mendeley.com
0000-0002-8552-9135
Vanderbilt University
120 papers found
Refreshing results…
E(n) Equivariant Graph Neural Network for Learning Interactional Properties of Molecules
MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC
High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning
Open‐Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular Simulation Design Framework
MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films
Formalizing atom-typing and the dissemination of force fields with foyer
Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation
A Transferable, Multi-Resolution Coarse-Grained Model for Amorphous Silica Nanoparticles
John P O’Connell Festschrift in fluid phase equilibria
Predicting the thermodynamic properties of experimental mixed-solvent electrolyte systems using the SAFT-VR+DE equation of state
Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective
Effect of Ceramide Tail Length on the Structure of Model Stratum Corneum Lipid Bilayers
Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation
Modeling the thermodynamic properties and phase behaviour of organic sulfur molecules with a group contribution based statistical associating fluid theory approach (GC-SAFT-VR)
Predicting the phase behavior of fluorinated organic molecules using the GC-SAFT-VR equation of state
Vapor pressure and liquid density of fluorinated alcohols: Experimental, simulation and GC-SAFT-VR predictions
Investigating the Structure of Multicomponent Gel-Phase Lipid Bilayers
Predicting the phase behavior of fatty acid methyl esters and their mixtures using the GC-SAFT-VR approach
Influence of Surface Morphology on the Shear-Induced Wear of Alkylsilane Monolayers: Molecular Dynamics Study
A Hierarchical, Component Based Approach to Screening Properties of Soft Matter
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