PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers.
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.5c00254
Abstract: Easily tunable and processable, porous organic polymers (POPs) have found increasing utility in various applications. Molecular modeling and simulations are invaluable tools in polymer science but remain under-reported in the POP literature. Accurate modeling and… read more here.
Keywords: polypal python; package molecular; python package; molecular dynamics ... See more keywords