McCabe, C.

Authored

(566c) The Molecular Simulation Design Framework (MoSDeF): The Latest Integration with Gomc, Cassandra, and HOOMD-Blue
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(337bp) A Multiscale Molecular Dynamics Study of Skin Lipids
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(346h) Evaluating Atomical Level Interfacial Structures of Multifunctional Energy Minimizing Surfaces Using Molecular Dynamics Simulations
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(338c) Combinatorial Approach to Discover Polymeric Membranes for Dehydration of Polar Solvents
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(566j) Exploring the Reproducibility of Molecular Simulations Using the Molecular Simulation Design Framework (MoSDeF)
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(626i) Responsive Monolayer Films for Environmentally Adaptative Surfaces
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(637b) Versatile Strategy for the Combinatorial Design and Fabrication of Thin Film Composite Membranes
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(545h) Multiscale Modeling of Stratum Corneum Lipids to Understand the Barrier Function of Skin
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(272d) Investigating the Role of Ceramide Conformation on the Multilayer Structure of Lipids in the Stratum Corneum Via Multiscale Simulation
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(9i) Dynamic Molecular Switching for Environmentally Adaptive Surfaces
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(444e) Predicting the Phase Behavior of Highly Fluorinated Molecules Using the GC-SAFT-VR Equation of State
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(360h) The Molecular Simulation Design Framework (MoSDeF): New Capabilities
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(244h) Simulation Study of Stratum Corneum Lipid Self-Assembly
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(561h) Multiscale Modeling of the Structure and Permeability of Self-Assembled Stratum Corneum Lipid Membranes
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(622g) Application of Machine Learning to Accelerate High-Throughput Molecular Dynamics Screening: A Study of Tribological Properties of Monolayer Films
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(691e) Multiscale Modeling of Stratum Corneum Lipids
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(525j) Exploring the Role of Lipid Tail Length on the Structure of Self-Assembled Stratum Corneum Lipids
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(637i) Development of Coarse-Grained Forcefields for the Self-Assembly of Ceramide-Based Lipid Membranes
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(118i) High-Throughput Screening of Tribological Properties of Monolayer Films Using Molecular Dynamics and Machine Learning
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(142d) Using Simulation to Explore the Effect of Cholesterol on Skin Lipid Self-Assembly
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(39c) Screening of Organic Photovoltaic Morphologies Enabled By Mosdef Tools, Continuous Integration, and Test-Driven Development.
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(581c) Simulation Study of the Long-Periodicity Phase of the Stratum Corneum
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(342w) The Molecular Simulation Design Framework (MoSDeF): New Features to Improve User Experience and Support Reproducible Molecular Simulations
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(538d) Dynamic Molecular Switching for Environmentally Adaptive Surfaces
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(39a) The Molecular Simulation Design Framework (MoSDeF) Project: A Collaboration Towards Transparent, Reproducible, Usable By Others, Extensible (TRUE) Simulations
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(35a) Examining the Self-Assembly of Patchy Alkane-Grafted Silica Nanoparticles Using Molecular Simulation
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(342x) Managing a High-Throughput Screening Workflow with Open-Source Software: A Study of Tribological Properties of Thin Films
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(220e) Investigating the Tribological Properties of Monolayer Films through High-Throughput Screening and Machine Learning
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(742b) Exploring the Effect of Cholesterol on the Structure of Stratum Corneum Model Lamella Via Coarse-Grained Molecular Dynamics
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(346bg) Gmso: A Flexible, Python-Based Representation of Chemical Topologies for Molecular Simulation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(382g) Multiscale Modeling of Stratum Corneum Lipid Membranes
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(764g) Transferable Multiscale Model for Simulating Self-Assembled Skin Lipid Mixtures
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(376am) Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(757d) Packing, Order, and Interfacial Influences on Permeability through Gel-Phase Lipid Bilayers
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(698g) Examination of the Relationships between Terminal Group Chemistry and Tribological Properties in Monolayer Films through Molecular Dynamics Screening
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(376ar) Mosdef: A Python-Based Molecular Simulation and Design Framework
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(770f) ­­­Influence of Single-Stranded DNA Coatings on the Interaction between Graphene Nanoflakes and Lipid Bilayers
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(729c) Molecular Simulation and Design Framework (MoSDef) for Transparent, Reproducible, Usable By Others, Extensible Simulations (TRUE)
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(161j) Accelerating Large-Scale Screening of Tribological Properties and Chemistries
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(648h) Zwitterionic Contribution to the Hydration Lubrication Dynamics of Poly(2-methacryloyloxyethyl phosphorylcholine)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189at) Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(384a) 25 by 25: Chemical Engineering in the Next 25 Years
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(189au) MoSDeF: A Python-Based Molecular Simulation and Design Framework
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(741a) Multiscale Modeling of Stratum Corneum Lipid Mixtures
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(13f) Screening Structure-Property Relationships in Lubricating Monolayer Films through Molecular Dynamics Simulation
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(710i) MoSDeF: Molecular Simulation and Design Framework for Transparent, Reproducible, Usable By Others, Extensible Simulations (TRUE)
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(613h) Structure of Multi-Component, Gel-Phase Lipid Bilayers
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(736h) Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(704h) Self-Assembly Simulations of Stratum Corneum Lipid Mixtures
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(675g) Identifying Relationships between Terminal Group Chemistry and Interfacial Friction in Monolayer-Based Lubrication through a Molecular Dynamics Screening Approach
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

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