most citedWorkflow for investigating thermodynamic, structural and energy properties of condensed polymer systems from Molecular Dynamics

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cond-mat.soft2022★ 1 cited

Workflow for investigating thermodynamic, structural and energy properties of condensed polymer systems from Molecular Dynamics

James P. Andrews, Estela Blaisten-Barojas

Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unav…