Avi Purkayastha

High Performance Computing Senior Scientist

Photo of Avi Purkayastha
(303) 275-4243

Avi Purkayastha joined the Computational Science Center at NREL in 2010 as a senior scientist in high performance computing, where he is working on enabling and advancing large-scale NREL application domain codes on HPC systems. Previously, he was in private industry at a systems startup company, SiCortex Inc., where he worked for 2 years on application development, porting, optimization, and application benchmarking for the MIPS64 based parallel cluster system, as well as technical marketing and sales of the product.

Before his experience in the start-up commercial world, Dr. Purkayastha was a research scientist at the Texas Advanced Computing Center, affiliated with the University of Texas at Austin, from 2001 to 2007. There he was principal in HPC applications and user support, as well as in research and development in large-scale scientific applications and different HPC systems and technologies.

While at Northern Illinois University, he worked with Drs. Biswa Datta and Chris Bischof of Argonne National Laboratory, to design, develop, and implement a parallel algorithm for control systems.

Research Interests 

  • HPC applications performance and optimizations
  • HPC systems and accelerator technologies
  • Scientific domains: weather, molecular dynamics, computational fluid dynamics.


  • 1993 Ph.D., applied mathematics, Northern Illinois University.

Selected Publications 

  1. Leonard, J.; Purkayastha, A.; Reilly, M.; Mohan, T. (September 2007). "The Software Interface for a Cluster Interconnect Based on Kautz DiGraph." Proceedings for IEEE International Conference on Cluster Computing; September 17-September 20, 2007, Austin, Texas.
  2. Chan, E.; Heimlich, M.F.; Purkayastha, A.; van de Geijn, R. (January 2007). "Collective Communications: Theory, Practice and Experience." Concurrency and Computation: Practice and Experience
  3. Milfeld, K.; Purkayastha, A.; Goto, K.; Guiang, C.; Schulz, K. (May 2007). "Effective Use of Multi-Core Commodity Systems in HPC." Submitted to the 8th LCI International Conference on High Performance Clustered Computing; May 14-May 17, 2007, Lake Tahoe, California.
  4. Moore, S.; Purkayastha, A.; Teller, P. (June 2005). "Performance Profiling and Analysis of DoD Applications using PAPI and TAU." IEEE Society in the Annual Proceedings of the UGC; June 27-June 30, 2005, Nashville, Tennessee.
  5. Purkayastha, A.; Guiang, C.; Schulz, K. (April 2004). "Performance Characteristics of Dual-Processor HPC Cluster Nodes Based on 64-bit Commodity Processors." The 5th LCI International Conference on Linux Clusters: The HPC Revolution; May 17-May 20, 2004, Austin, Texas.
  6. Chan, E.; Heimlich, M.F.; Purkayastha, A.; van de Geijn, R. (September 2004). "On Optimizing Collective Communication." Proceedings for IEEE International Conference on Cluster Computing; September 20-September 23, 2004, San Diego, California.