This $298,435 federal Project Grant award from the National Science Foundation Division of Materials Research under the Mathematical and Physical Sciences program (CFDA 47.049) aims to provide the research community with a robust and versatile computational framework for accurate modeling of mesoscale bionano systems. Specifically, the project transforms the Atomic Resolution Brownian Dynamics (ARBD) code into a general-purpose mesoscale simulation engine supporting parallel computing on multiple hardware platforms. The new parallel data structures and simulation methods will enable computational characterization of previously intractable bionano systems, including DNA nanostructures, single-molecule biological sensors, viruses, organelles, and bacterial cells. By integrating the ARBD framework with a Python-based force-field library and providing detailed documentation and training, the project seeks to make the advanced simulation capabilities widely accessible to the nanoscale transport, plasmonics, DNA self-assembly, and biomolecular physics research communities.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $298.4k | 7/20/23 |