Search Results - "Parker, Amanda J."

Molecular Mechanisms of Plastic Deformation in Sphere-Forming Thermoplastic Elastomers by Parker, Amanda J, Rottler, Jörg

“…Plastic deformation of sphere-forming triblock thermoplastic elastomers is studied with molecular dynamics simulations in order to elucidate microscopic…”
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Nonlinear Mechanics of Triblock Copolymer Elastomers: From Molecular Simulations to Network Models by Parker, Amanda J, Rottler, Jörg

“…We introduce an entropic network model for copolymer elastomers based on the evolution of microscopic chain conformations during deformation. We show that the…”
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Graph representation of multi-dimensional materials by Cai, Carina T, Parker, Amanda J, Barnard, Amanda S

“…Abstract The integration of graph-based representations with machine learning methodologies is transforming the landscape of material discovery, offering a…”
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Online meta-learned gradient norms for active learning in science and technology by Dong, Haiqi, Barnard, Amanda S, Parker, Amanda J

“…Abstract Acquisition of scientific data can be expensive and time-consuming. Active learning is a solution to reduce costs and time by guiding the selection of…”
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Using Soft Potentials for the Simulation of Block Copolymer Morphologies by Parker, Amanda J., Rottler, Jörg

“…A simulation strategy for the creation of equilibrated nanostructured copolymer melt morphologies is proposed. Molecular dynamics simulations of bead‐spring…”
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Entropic Network Model for Star Block Copolymer Thermoplastic Elastomers by Parker, Amanda J, Rottler, Jörg

“…Uniaxial tensile deformation of star block polymer elastomers with up to 10 arms is studied with molecular dynamics simulations of a bead–spring representation…”
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Accurate prediction of binding energies for two‐dimensional catalytic materials using machine learning by Melisande Fischer, Julia, Hunter, Michelle, Hankel, Marlies, Searles, Debra J., Parker, Amanda J., Barnard, Amanda S.

“…The binding energy of small molecules on two‐dimensional (2D) single atom catalysts influences their reaction efficiency and suitability for different…”
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Interfacial informatics by Fischer, Julia M, Parker, Amanda J, Barnard, Amanda S

“…Abstract Using machine learning methods to analyse and predict events occurring at interfaces is more complicated than applying machine learning to…”
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Water soluble, biodegradable amphiphilic polymeric nanoparticles and the molecular environment of hydrophobic encapsulates: Consistency between simulation and experiment by Miller, Robert D., Yusoff, Rosmadi M., Swope, William C., Rice, Julia E., Carr, Amber C., Parker, Amanda J., Sly, Joseph, Appel, Eric A., Nguyen, Timothy, Piunova, Victoria

“…Star polymers with a crosslinked nanogel core constitute an unusual class of polymers with many arms emanating from the functionalized core. Although the core…”
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Molecular Dynamics Simulations of Star Polymeric Molecules with Diblock Arms, a Comparative Study by Swope, William C, Carr, Amber C, Parker, Amanda J, Sly, Joseph, Miller, Robert D, Rice, Julia E

“…We have performed all atom explicit solvent molecular dynamics simulations of three different star polymeric systems in water, each star molecule consisting of…”
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Data-Driven Design of Classes of Ruthenium Nanoparticles Using Multitarget Bayesian Inference by Ting, Jonathan Y. C., Parker, Amanda J., Barnard, Amanda S.

“…Producing perfectly regulated nanoparticle samples on a large scale is challenging and costly for manufacturers, so the ability to define and reproduce classes…”
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Selecting Appropriate Clustering Methods for Materials Science Applications of Machine Learning by Parker, Amanda J., Barnard, Amanda S.

“…Based on a general definition of a cluster and the quality of a clustering result, a new method for evaluating existing clustering algorithms, or undertaking…”
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Materials Selection: Selecting Appropriate Clustering Methods for Materials Science Applications of Machine Learning (Adv. Theory Simul. 12/2019) by Parker, Amanda J., Barnard, Amanda S.

“…Clustering is an important method to determine the classes of materials and nanoparticles. Knowing the number and density of clusters in advance can accelerate…”
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Nonlinear mechanics of triblock copolymer elastomers: from molecular simulations to network models by Parker, Amanda J, Rottler, Joerg

“…ACS Macro Lett. 6, 786 (2017) We introduce an entropic network model for copolymer elastomers based on the evolution of microscopic chain conformations during…”
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