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C

Clare McCabe

School of Engineering and Physical Sciences

46H指数
212论文数
6.6K被引数
收录论文 76
发表时间
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Grouper: symmetry-aware functional-group graph representations for generative exploration of chemical spacegrouper：用于生成探索化学空间的对称性感知官能团图表示
errnpj Computational Materials
IF11.9
err2026-08-27
err0
errOAAI
errKieran Nehil-Puleo; Nicholas C. Craven; Clare McCabe; Peter T. Cummings
err分享
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Quantum Chemical Topology Analysis of Covalent Interactions in the Hydration of F– along with the Zinc Finger of NPL4 and Its Application to the Delimitation of QM/MM Boundaries氟离子水合作用中的共价相互作用量子化学拓扑分析及其在限定QM/MM边界中的应用，同时涉及NPL4的锌指结构
errACS Omega
IF4.3
err2026-03-10
err0
errOAAI
errCristian E. Bahena-Méndez; Humberto Saint-Martin; Clare McCabe; José Manuel Guevara-Vela; Tomás Rocha-Rinza
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Multiscale simulation of stratum corneum lipid mixtures: effects of ceramide headgroups on structural organization and hydrogen bonding networks角质层脂质混合物的多尺度模拟：神经酰胺头部基团对结构组织和氢键网络的影响
errInternational Journal of Pharmaceutics
IF5.2
err2026-01-01
err0
errOAAI
errFrame, Chloe O.; Iacovella, Christopher R.; Moore, David J.; Bunge, Annette L.; McCabe, Clare
err分享
err收藏
Semifluorinated polymer membranes by ring-opening metathesis polymerization during spin coating开环易位聚合法制备的半氟化聚合物膜旋涂过程
errJournal of Membrane Science
IF9
err2025-06-23
err0
errOAAI
errTyler D. Oddo; Arun Srikanth; Zane J. Parkerson; Matthew P. Vasuta; Co D. Quach; Clare McCabe; G. Kane Jennings
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Evaluating the terminal group switching of responsive monolayer films: examining structural rearrangements via molecular simulations and experimental wetting measurements评估响应性单分子层薄膜的末端基团转换：通过分子模拟和实验润湿测量考察结构重排
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-05-01
err1
errOAAI
errCraven, Nicholas C.; Cordova-Huaman, Allison; Iacovella, Christopher R.; Jennings, G. Kane; McCabe, Clare
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The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations
errBIOPHYSICAL JOURNAL
IF3.1
err2024-09-01
err1
errOAAI
errShamaprasad, Parashara; Nadaban, Andreea; Iacovella, Christopher R.; Gooris, Gerrit S.; Bunge, Annette L.; Bouwstra, Joke A.; McCabe, Clare
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The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study
errLANGMUIR
IF3.9
err2024-06-25
err0
errOAAI
errNadaban, Andreea; Frame, Chloe O.; El Yachioui, Dounia; Gooris, Gerrit S.; Dalgliesh, Robert M.; Malfois, Marc; Iacovella, Christopher R.; Bunge, Annette L.; McCabe, Clare; Bouwstra, Joke A.
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The skin barrier: An extraordinary interface with an exceptional lipid organization皮肤屏障: 具有特殊脂质组织的特殊界面
errPROGRESS IN LIPID RESEARCH
IF14.9
err2023-11-01
err30
errOAAI
errBouwstra, Joke A.; Nadaban, Andreea; Bras, Wim; McCabe, Clare; Bunge, Annette; Gooris, Gerrit S.
err分享
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MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMCMosdef-gomc: 用于为Monte Carlo仿真引擎GOMC创建科学工作流程的Python软件
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-02-15
err3
PREAI
errCrawford, Brad; Timalsina, Umesh; Quach, Co D.; Craven, Nicholas C.; Gilmer, Justin B.; McCabe, Clare; Cummings, Peter T.; Potoff, Jeffrey J.
err分享
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Using molecular simulation to understand the skin barrier
errPROGRESS IN LIPID RESEARCH
IF14.9
err2022-11-01
err22
errOAAI
errShamaprasad, Parashara; Frame, Chloe O.; Moore, Timothy C.; Yang, Alexander; Iacovella, Christopher R.; Bouwstra, Joke A.; Bunge, Annette L.; McCabe, Clare
err分享
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Multiscale Simulation of Ternary Stratum Corneum Lipid Mixtures: Effects of Cholesterol Composition
errLANGMUIR
IF3.9
err2022-06-07
err14
errOAAI
errShamaprasad, Parashara; Moore, Timothy C.; Xia, Donna; Iacovella, Christopher R.; Bunge, Annette L.; McCabe, Clare
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High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning使用分子动力学和机器学习对单层膜的摩擦学特性进行高通量筛选
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-19
err8
errOAAI
errQuach, Co D.; Gilmer, Justin B.; Pert, Daniel; Mason-Hogans, Akanke; Iacovella, Christopher R.; Cummings, Peter T.; McCabe, Clare
err分享
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Open-source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework化学工程中的开源分子建模软件，专注于分子模拟设计框架
errAICHE JOURNAL
IF4
err2021-02-03
err26
errOAAI
errCummings, Peter T.; McCabe, Clare; Iacovella, Christopher R.; Ledeczi, Akos; Jankowski, Eric; Jayaraman, Arthi; Palmer, Jeremy C.; Maginn, Edward J.; Glotzer, Sharon C.; Anderson, Joshua A.; Ilja Siepmann, J.; Potoff, Jeffrey; Matsumoto, Ray A.; Gilmer, Justin B.; DeFever, Ryan S.; Singh, Ramanish; Crawford, Brad
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Examining the self-assembly of patchy alkane-grafted silica nanoparticles using molecular simulation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-19
err4
errOAAI
errCraven, Nicholas C.; Gilmer, Justin B.; Spindel, Caroline J.; Summers, Andrew Z.; Iacovella, Christopher R.; McCabe, Clare
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Liquid-vapor phase equilibrium of a simple liquid confined in a random porous media: Second-order Barker-Henderson perturbation theory and scaled particle theory
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2020-02-01
err7
errOAAI
errNelson, A. K.; Kalyuzhnyi, Y. V.; Patsahan, T.; McCabe, C.
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MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer FilmsMoSDeF，一个Python框架，可以对软物质进行大规模计算筛选: 在润滑单层膜中的化学性质关系中的应用
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-01-31
err27
PREAI
errSummers, Andrew Z.; Gilmer, Justin B.; Iacovella, Christopher R.; Cummings, Peter T.; McCabe, Clare
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Formalizing atom-typing and the dissemination of force fields with foyer
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2019-09-01
err40
errOAAI
errKlein, Christoph; Summers, Andrew Z.; Thompson, Matthew W.; Gilmer, Justin B.; McCabe, Clare; Cummings, Peter T.; Sallai, Janos; Iacovella, Christopher R.
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Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation
errNANOMATERIALS
IF4.3
err2019-04-19
err11
errOAAI
errBlack, Jana E.; Summers, Andrew Z.; Iacovella, Christopher R.; Cummings, Peter T.; McCabe, Clare
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A Transferable, Multi-Resolution Coarse-Grained Model for Amorphous Silica Nanoparticles
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-03-27
err7
PREAI
errSummers, Andrew Z.; Iacovella, Christopher R.; Cane, Olivia M.; Cummings, Peter T.; McCabe, Clare
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Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation
errLANGMUIR
IF3.9
err2017-10-03
err22
errOAAI
errSummers, Andrew Z.; Iacovella, Christopher R.; Cummings, Peter T.; McCabe, Clare
err分享
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研究方向

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合作学者
合作期刊
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Gregg T. Beckham
H 指数: 107 · 论文数: 556
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Oleg Borodin
H 指数: 102 · 论文数: 440
M
Michael E. Himmel
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J
Joke A. Bouwstra
H 指数: 89 · 论文数: 415
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