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https://cbe.princeton.edu/events/predictive-multiscale-modeling-polymer-formulations

Predictive Multiscale Modeling of Polymer Formulations

A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. The technique employs all-atom molecular dynamics simulations of small systems containing oligomeric fragments of the polymers to obtain equilibrated reference data. Relative entropy methods d



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Predictive Multiscale Modeling of Polymer Formulations

https://cbe.princeton.edu/events/predictive-multiscale-modeling-polymer-formulations

A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. The technique employs all-atom molecular dynamics simulations of small systems containing oligomeric fragments of the polymers to obtain equilibrated reference data. Relative entropy methods d



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https://cbe.princeton.edu/events/predictive-multiscale-modeling-polymer-formulations

Predictive Multiscale Modeling of Polymer Formulations

A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. The technique employs all-atom molecular dynamics simulations of small systems containing oligomeric fragments of the polymers to obtain equilibrated reference data. Relative entropy methods d

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      A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. The technique employs all-atom molecular dynamics simulations of small systems containing oligomeric fragments of the polymers to obtain equilibrated reference data. Relative entropy methods d
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      Predictive Multiscale Modeling of Polymer Formulations
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      A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. The technique employs all-atom molecular dynamics simulations of small systems containing oligomeric fragments of the polymers to obtain equilibrated reference data. Relative entropy methods d
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