Christopher Iacovella
Sessions chaired or co-chaired
Multiscale and Coarse-Grained Modeling of Polymers
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
Polymer Thermodynamics and Self-Assembly: In Solution
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
Authored
(268c) Monolayer and Electrode Geometry Effects On the Formation, Structure, and Conductance of Molecular Junctions2012 AIChE Annual Meeting
(113c) The Structural Ordering of Ionic Liquids Nanoconfined Between Charged Walls2012 AIChE Annual Meeting
(181z) Calculation of Vapor-Liquid Coexistence of Grafted Nanoparticles2012 AIChE Annual Meeting
(201b) Lipid Self Assembly by Statistical Temperature Monte Carlo and Molecular Dynamics2012 AIChE Annual Meeting
(405e) GPU-Enabled Simulations of Size Effects On the Elongation and Rupture of Metallic Nanowires Using Many-Body Potentials2012 AIChE Annual Meeting
(220a) Slip Slidin' Away: Three Decades of Adventures in Computational Rheology and Lubrication
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(253am) A Transferable Multi-Resolution Coarse-Grained Model for Amorphous Silica Nanoparticles
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(757g) Molecular Dynamics Study on the Effects of Nanoscale Roughness on the Wear of Alkylsilane Monolayers
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(366j) Molecular Dynamics Simulations of Permeability in Gel Phase Mixed Lipid Bilayers
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(377b) Validation of Computational Models and Codes
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(253ay) A General Tool Chain for Screening of Soft Materials
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(200e) Choline and Phosphoryl Contributions to Hydration Structure and Dynamics of Poly(2-methacryloyloxyethyl phosphorylcholine)
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(595e) Application of Concepts from Modeling Integrated Computing for Molecular Simulation for Workflow Encapsulation
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(253bd) A Logic-Based Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(717c) The Influence of Lipid Tail Length and Cholesterol Content on the Structure of Model Stratum Corneum Bilayers
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(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)
(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)
(736f) Mosdef: Molecular Simulation and Design Framework
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192bg) Mosdef, a Python-Based Molecular Simulation and Design Framework
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(192bh) Screening Self-Assembled Monolayers for Lubrication Properties: Trends and Pitfalls
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(163c) Hydration Structure and Dynamics of Poly(2-methacryloyloxyethyl phosphorylcholine)
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(388h) A Comparative Study of Gromos- and Charmm-Based Force Fields for the Simulation of Non-Hydroxy Ceramide Bilayers
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(581c) Simulation Study of the Long-Periodicity Phase of the Stratum Corneum
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)
(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)
(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)
(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)
(637i) Development of Coarse-Grained Forcefields for the Self-Assembly of Ceramide-Based Lipid Membranes
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(691e) Multiscale Modeling of Stratum Corneum Lipids
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)
(360h) The Molecular Simulation Design Framework (MoSDeF): New Capabilities
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)
(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)
(338c) Combinatorial Approach to Discover Polymeric Membranes for Dehydration of Polar Solvents
2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)
(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)
Associated proceedings
2012 AIChE Annual Meeting
2016 AIChE Annual Meeting
2017 Annual Meeting
2013 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Annual Meeting
2023 AIChE Annual Meeting