The National Science Foundation (NSF) awarded a $146,361 Project Grant under the Computer and Information Science and Engineering (CFDA 47.070) federal grant program to the Regents of the University of Minnesota (UMN) to develop the Multiscale Polymer Toolkit (MUPT). The MUPT is an expanding suite of Python software libraries and community recipes that enable reproducible and extensible computational research on reacting polymer materials from angstrom to micron length scales. Key deliverables include: a multiscale internal software representation for polymers, tools for conversion between coarse-grained and high-resolution polymer representations, a workflow interface to link existing software tools, a searchable repository of community-vetted polymer simulation workflows, and documentation for best practices in polymer modeling. This 3-year award leverages expertise in high-throughput computing, polymer physics, reaction dynamics, and scientific software development to enable efficient, reproducible polymer materials modeling across multiple simulation engines and hardware architectures.
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