This National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) Federal Grant Program (CFDA 47.070) award of $144,562 to the Trustees of the Stevens Institute of Technology in Hoboken, New Jersey, will 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. The key deliverables include: (A) a multiscale internal software representation for polymers to enable 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 for linking existing software tools and programmatically generating simulation inputs; (D) a searchable repository of community-vetted polymer simulation workflows; (E) documentation for best practices in polymer modeling; and (F) recommendations for training research software engineers. This 3-year award, beginning on October 1, 2024, aims to advance computational methods for emerging polymer technologies like biogels, purification membranes, recyclable plastics, and advanced composites.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $144.6k | 8/22/24 |