Keyword Term: Molecular Dynamics
Keyword Term: Atomistic modeling
Keyword Term: Gromacs
Author Name: Iscen Akatay, Aysenur
Publication Year: 2023
Author Organization: Max Planck Institute for Polymer Research
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May 12, 2023
Iscen Akatay, Aysenur, 2023, "Simulation trajectories for "Acrylic Paints: An Atomistic View of the Polymer Structure and Effects of Environmental Pollutants"", https://doi.org/10.17617/3.4JHOMW, Edmond, V1
In this study, we develop a computational model to focus on how VOCs and water in the environment interact with the acrylic polymers found in modern paints. This dataset contains molecular dynamics simulation trajectories of acrylic polymers (PMMA, PEA and PnBA) and copolymers (... |