Research output per year
Research output per year
Personal profile
Research interests
The focus of our research is the use of molecular modeling tools to understand and predict the thermodynamic and transport properties of complex fluids, nanomaterials, and biological systems. These tools include atomistic and coarse-grained molecular dynamics and Monte Carlo simulations as well as molecular theory. Our work thus has application in a wide range of areas from skin health to achieving net zero through engineering new materials and solvents.
Biography
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Aug. |
2022 |
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Present |
Bicentennial Professor, Heriot-Watt University, Edinburgh UK | |
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Aug. |
2022 |
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Present |
Professor of Chemical and Biomolecular Engineering, Vanderbilt University | |
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Feb. |
2017 |
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Aug. 2022 |
Cornelius Vanderbilt Professor of Engineering, Vanderbilt University | |
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May |
2011 |
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Aug. 2022 |
Professor, Dept. of Chemical & Biomolecular Engineering, Vanderbilt University | |
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May |
2011 |
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Aug. 2022 |
Professor, Dept. of Chemistry, Vanderbilt University | |
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Jan. |
2017 |
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June |
2020 |
Associate Dean of the Graduate School and founding director, Office of Postdoctoral Affairs, Vanderbilt University |
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Aug. |
2016 |
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June |
2020 |
Founding director, Academic Pathways Program, Vanderbilt University |
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June |
2008 |
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May |
2011 |
Associate Professor, Dept. of Chemistry, Vanderbilt University |
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Sept. |
2007 |
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Aug. |
2011 |
Associate Professor, Dept. of Chemical & Biomolecular Engineering, Vanderbilt University |
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Aug. |
2004 |
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Aug. |
2007 |
Assistant Professor, Dept. of Chemical Engineering, Vanderbilt University |
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Aug. |
2004 |
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Aug. |
2006 |
Adjunct Assistant Professor, Department of Chemical Engineering, Colorado School of Mines, Golden, CO |
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Jan. |
2002 |
- |
July |
2004 |
Assistant Professor, Department of Chemical Engineering, Colorado School of Mines, Golden, CO |
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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E(n) Equivariant Graph Neural Network for Learning Interactional Properties of Molecules
Nehil-Puleo, K., Quach, C. D., Craven, N. C., McCabe, C. & Cummings, P. T., 1 Feb 2024, In: Journal of Physical Chemistry B. 128, 4, p. 1108-1117 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile4 Citations (Scopus)41 Downloads (Pure) -
The phase behavior of skin-barrier lipids: a combined approach of experiments and simulations
Shamaprasad, P., Nădăban, A., Iacovella, C. R., Gooris, G. S., Bunge, A. L., Bouwstra, J. A. & McCabe, C., 18 Jul 2024, (E-pub ahead of print) In: Biophysical Journal.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)3 Downloads (Pure) -
The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study
Nădăban, A., Frame, C. O., El Yachioui, D., Gooris, G. S., Dalgliesh, R. M., Malfois, M., Iacovella, C. R., Bunge, A. L., McCabe, C. & Bouwstra, J. A., 9 Jul 2024, In: Langmuir. 40, 27, p. 13794-13809 16 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile15 Downloads (Pure) -
MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC
Crawford, B., Timalsina, U., Quach, C. D., Craven, N. C., Gilmer, J. B., McCabe, C., Cummings, P. T. & Potoff, J. J., 27 Feb 2023, In: Journal of Chemical Information and Modeling. 63, 4, p. 1218-1228 11 p.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Perfluorinated Pollutants in Water: Diffusion Coefficient of Perfluorosulfonic Acids by Molecular Dynamics Simulations
Damião, G., Morgado, P., Silva, P., Martins, L. F. G., McCabe, C. & Filipe, E. J. M., Dec 2023, In: Fluid Phase Equilibria. 575, 113928.Research output: Contribution to journal › Article › peer-review
Open AccessFile6 Citations (Scopus)3 Downloads (Pure)
Prizes
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Fellow, American Association for the Advancement of Science
McCabe, Clare (Recipient), 2019
Prize: Election to learned society
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Fellow, American Institute of Chemical Engineers
McCabe, Clare (Recipient), 2019
Prize: Election to learned society
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Fellow, American Institute of Medical and Biological Engineering
McCabe, Clare (Recipient), 2023
Prize: Election to learned society
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CECAM Flagship Workshop FAIR and TRUE Data Processing for Soft Matter Simulations
Clare McCabe (Organiser)
2023Activity: Participating in or organising an event › Participation in workshop, seminar, course
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Molecular Physics (Journal)
Clare McCabe (Editorial board member)
2023Activity: Publication peer-review and editorial work › Editorial activity
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Chemical Thermodynamics and Thermal Analysis (Journal)
Clare McCabe (Editorial board member)
2021Activity: Publication peer-review and editorial work › Editorial activity
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Fluid Phase Equilibria (Journal)
Clare McCabe (Editor)
2015Activity: Publication peer-review and editorial work › Editorial activity