Clare McCabe
Vanderbilt University
H-index: 50
North America-United States
Top articles of Clare McCabe
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
E(n) Equivariant Graph Neural Network for Learning Interactional Properties of Molecules | The Journal of Physical Chemistry B | Kieran Nehil-Puleo Co D Quach Nicholas C Craven Clare McCabe Peter T Cummings | 2024/1/17 |
MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC | Journal of Chemical Information and Modeling | Brad Crawford Umesh Timalsina Co D Quach Nicholas C Craven Justin B Gilmer | 2023/2/15 |
Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations | Fluid Phase Equilibria | Guilherme Damião Pedro Morgado Pedro Silva Luís FG Martins Clare McCabe | 2023/12/1 |
The skin barrier: an extraordinary interface with an exceptional lipid organization | Joke A Bouwstra Andreea Nădăban Wim Bras Clare McCabe Annette Bunge | 2023/9/4 | |
Using molecular simulation to understand the skin barrier | Parashara Shamaprasad Chloe O Frame Timothy C Moore Alexander Yang Christopher R Iacovella | 2022/11/1 | |
Mechanical sensitivity changes in pericranial muscles after local anesthesia and experimentally induced pain in the temporalis tendon: Implications for headache and facial pain | Cephalalgia | Shuting Yang Fernando G Exposto Sadaf Mahmoodi Peter Svensson | 2022/10 |
Multiscale simulation of ternary stratum corneum lipid mixtures: effects of cholesterol composition | Langmuir | Parashara Shamaprasad Timothy C Moore Donna Xia Christopher R Iacovella Annette L Bunge | 2022/6/7 |
High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning | The Journal of Chemical Physics | Co D Quach Justin B Gilmer Daniel Pert Akanke Mason-Hogans Christopher R Iacovella | 2022/4/21 |
Development of coarse-grained model for a minimal stratum corneum lipid mixture | bioRxiv | Parashara Shamaprasad Timothy C Moore Donna Xia Christopher R Iacovella Annette L Bunge | 2021/10/4 |
Examining the self-assembly of patchy alkane-grafted silica nanoparticles using molecular simulation | The Journal of Chemical Physics | Nicholas C Craven Justin B Gilmer Caroline J Spindel Andrew Z Summers Christopher R Iacovella | 2021/1/21 |
Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework | AIChE Journal | Peter T Cummings Clare MCabe Christopher R Iacovella Akos Ledeczi Eric Jankowski | 2021/3 |
Vapor-liquid equilibria for binary systems carbon dioxide+ 1, 1, 1, 2, 3, 3-hexafluoro-3-(2, 2, 2-trifluoroethoxy) propane or 1-ethoxy-1, 1, 2, 2, 3, 3, 4, 4, 4 … | Fluid Phase Equilibria | Hiroyuki Matsuda Toru Suga Tomoya Tsuji Katsumi Tochigi Kiyofumi Kurihara | 2020/12/1 |
Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE) | Molecular Physics | Matthew W Thompson Justin B Gilmer Ray A Matsumoto Co D Quach Parashara Shamaprasad | 2020/4/4 |
Examining Tail and Headgroup Effects on Binary and Ternary Gel-Phase Lipid Bilayer Structure | The Journal of Physical Chemistry B | Alexander Yang Timothy C Moore Christopher R Iacovella Michael Thompson David J Moore | 2020/3/20 |
Liquid-vapor phase equilibrium of a simple liquid confined in a random porous media: Second-order Barker-Henderson perturbation theory and scaled particle theory | Journal of Molecular Liquids | AK Nelson YV Kalyuzhnyi T Patsahan C McCabe | 2020/2/15 |
MoSDeF, a Python framework enabling large-scale computational screening of soft matter: Application to chemistry-property relationships in lubricating monolayer films | Journal of Chemical Theory and Computation | Andrew Z Summers Justin B Gilmer Christopher R Iacovella Peter T Cummings Clare McCabe | 2020/1/31 |
Hiroyuki Matsuda, Toru Suga, Tomoya Tsuji b, Katsumi Tochigi, Kiyofumi Kurihara | Fluid Phase Equilibria | Alyssa K Nelson Clare McCabe | 2020 |
Co-Authors
