This Project Grant award of $133,269 from the National Science Foundation's (NSF) Computer and Information Science and Engineering (CISE) program (CFDA 47.070) supports the development of the Multiscale Polymer Toolkit (MUPT), an expanding suite of Python software libraries and community recipes for reproducible and extensible computational research on reacting polymer materials. The MUPT deliverables include: (a) a multiscale, internal software representation for polymers enabling data conversion between major simulation engines; (b) an interface allowing researchers to plug in existing software tools for polymer parameterization, building, and crosslinking; (c) a workflow interface linking existing software tools; (d) a searchable repository of community-vetted polymer simulation workflows; (e) documentation for best practices in polymer modeling; and (f) recommendations for improving materials and training for research software engineers. This 3-year award, beginning October 1, 2024, aims to enable efficient, reproducible modeling of emerging polymer technologies like biogels, purification membranes, recyclable plastics, and advanced composites across multiple simulation engines and hardware architectures.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $133.3k | 8/22/24 |