REU Supplement: CIF21 DIBBs: Middleware and High Performance Analytics Libraries for Scalable Data Science

Project: Research project

Project Details


A group of three undergraduate students will carry out research projects in the computational biophysics group at Arizona State University (ASU). The projects will be conducted remotely, with meetings through Zoom and daily communication through Slack and email.

In the projects the student will learn how to carry out molecular dynamics simulations of large biomolecular systems and how to analyze them. They will implement new algorithms for the analysis of biomolecular simulations in MDAnalysis and the new parallel MDAnalysis pmda library. They will be involved in contributing to a thriving and widely used open-source software project and learn to use state of the art approaches to rapidly develop fast code suitable for scientific work, including programming parallel applications for execution on high performance (HPC) supercomputers. Students will submit code to the appropriate code repositories and produce a final technical report.
Effective start/end date10/1/209/30/21


  • National Science Foundation (NSF): $15,000.00


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