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D-Index & Metrics

Chemistry

D-Index
48
Citations
7304
World Ranking
15358
National Ranking
3888

Research.com Recognitions

  • 2019 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Clare McCabe is affiliated with Vanderbilt University in the United States, where their research focuses primarily on engineering with a strong emphasis on materials chemistry, organic chemistry, atomic and molecular physics and optics, mechanical engineering, and pharmaceutical science.

The scientist's research encompasses a variety of key topics, including:

  • Advancements in Transdermal Drug Delivery
  • Surfactants and Colloidal Systems
  • Machine Learning in Materials Science
  • Lubricants and Their Additives
  • Phase Equilibria and Thermodynamics
  • Lipid Membrane Structure and Behavior
  • Scientific Computing and Data Management

Recent publications by Clare McCabe include:

  • The skin barrier: An extraordinary interface with an exceptional lipid organization, 2023, Progress in Lipid Research
  • Using molecular simulation to understand the skin barrier, 2022, Progress in Lipid Research
  • Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations, 2023, Fluid Phase Equilibria
  • High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning, 2022, The Journal of Chemical Physics
  • MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC, 2023, Journal of Chemical Information and Modeling

Their frequent co-authors include Christopher R. Iacovella, Co D. Quach, Justin Gilmer, Peter T. Cummings, and Annette L. Bunge.

Publication venues where Clare McCabe's work has frequently appeared include:

  • Zenodo (CERN European Organization for Nuclear Research)
  • Fluid Phase Equilibria
  • The Journal of Chemical Physics
  • Progress in Lipid Research
  • Langmuir

Clare McCabe was recognized as a Fellow of the American Association for the Advancement of Science (AAAS) in 2019.

Best Publications

  • Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support

    Robert D. Chirico;Michael Frenkel;Joseph W. Magee;Vladimir Diky

  • Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion

    Timothy C. Moore;Christopher R. Iacovella;Clare McCabe

  • Oscillatory Behavior of Double-Walled Nanotubes under Extension: A Simple Nanoscale Damped Spring

    José L. Rivera;Clare Mccabe;Peter T. Cummings

  • Molecular simulations of liquid-liquid interfacial properties: water-n-alkane and water-methanol-n-alkane systems.

    José L. Rivera;Clare McCabe;Peter T. Cummings;Peter T. Cummings

  • Coarse-Grained Molecular Models of Water: A Review.

    Kevin R. Hadley;Clare McCabe

  • SAFT-VR modelling of the phase equilibrium of long-chain n-alkanes

    Clare McCabe;George Jackson

  • Comparison of Nonequilibrium Molecular Dynamics with Experimental Measurements in the Nonlinear Shear-Thinning Regime

    Scott Bair;Clare McCabe;Clare McCabe;Peter T. Cummings;Peter T. Cummings

  • The oscillatory damped behaviour of incommensurate double-walled carbon nanotubes.

    José L Rivera;Clare McCabe;Peter T Cummings;Peter T Cummings

  • Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Perfluoro-n-alkanes + n-Alkanes Using the SAFT-VR Approach

    Clare McCabe;Amparo Galindo;Alejandro Gil-Villegas;George Jackson

  • Developing a predictive group-contribution-based SAFT-VR equation of state

    Yun Peng;Kimberly D. Goff;M. Carolina dos Ramos;Clare McCabe

  • Application of Crossover Theory to the SAFT-VR Equation of State: SAFT-VRX for Pure Fluids

    Clare McCabe;Sergei B. Kiselev

  • Multiple Functions of Aromatic-Carbohydrate Interactions in a Processive Cellulase Examined with Molecular Simulation

    Christina M. Payne;Yannick J. Bomble;Courtney B. Taylor;Clare McCabe

  • The O-Glycosylated Linker from the Trichoderma reesei Family 7 Cellulase Is a Flexible, Disordered Protein

    Gregg T. Beckham;Gregg T. Beckham;Gregg T. Beckham;Yannick J. Bomble;James F. Matthews;Courtney B. Taylor

  • On the investigation of coarse-grained models for water: balancing computational efficiency and the retention of structural properties.

    Kevin R. Hadley;Clare McCabe

  • A crossover SAFT-VR equation of state for pure fluids: preliminary results for light hydrocarbons

    Clare McCabe;Sergei B. Kiselev

  • Chapter 8:SAFT Associating Fluids and Fluid Mixtures

    Clare McCabe;Amparo Galindo

  • Predicting the High-Pressure Phase Equilibria of Methane + n-Hexane Using the SAFT-VR Approach

    Clare McCabe;Alejandro Gil-Villegas;George Jackson

  • Simulation Study of the Structure and Phase Behavior of Ceramide Bilayers and the Role of Lipid Headgroup Chemistry

    Shan Guo;Timothy C. Moore;Christopher R. Iacovella;L. Anderson Strickland

  • Molecular dynamics study of the nano-rheology of n-dodecane confined between planar surfaces

    S. T. Cui;C. McCabe;P. T. Cummings;H. D. Cochran

  • The thermodynamics of heteronuclear molecules formed from bonded square-well (BSW) segments using the SAFT-VR approach

    Clare McCABE;Alejandro Gil-Villegas;George Jackson;Fernando Del Rio

Frequent Co-Authors

Peter T. Cummings
Peter T. Cummings Heriot-Watt University
Alberto Striolo
Alberto Striolo University College London
George Jackson
George Jackson Imperial College London
Gregg T. Beckham
Gregg T. Beckham National Renewable Energy Laboratory
Michael E. Himmel
Michael E. Himmel National Renewable Energy Laboratory
Michael F. Crowley
Michael F. Crowley National Renewable Energy Laboratory
Sharon C. Glotzer
Sharon C. Glotzer University of Michigan–Ann Arbor
Scott Bair
Scott Bair Georgia Institute of Technology
Agílio A. H. Pádua
Agílio A. H. Pádua École Normale Supérieure de Lyon
Amparo Galindo
Amparo Galindo Imperial College London

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