Project Grant 2411305

Award Date 10/1/24
Completion Date 9/30/27
Dollars Obligated $143K
Federal Grant Program
47.070
Assistance Type
Project Grant
Place of Performance
Gainesville, FL 32611, USA
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  1. A multiscale internal software representation for polymers that allows data conversion between major simulation engines.
  2. An interface for this representation that allows researchers to integrate existing software tools for polymer parameterization, building, and crosslinking.
  3. A workflow interface to link existing software tools and programmatically generate simulation inputs.
  4. A searchable repository of community-vetted polymer simulation workflows.
  5. Documentation for best practices in polymer modeling using the MUPT libraries.

This award aims to address challenges in enabling reproducible research on emerging polymer technologies, including biogels, purification membranes, recyclable plastics, and advanced composites. The project leverages expertise in high-throughput computing, polymer physics, reaction dynamics, and scientific software development to enable efficient, reproducible modeling across multiple simulation engines and hardware architectures.

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