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ECSE Departmental Research Seminar, 8th February 2006

Title: "Application Specific Acceleration of Electron Repulsion Integrals in Computational Quantum Chemistry"

Speaker: Tirath Ramdas, E&CSE Monash University, Australia

Abstract:

Computational quantum chemistry workloads have traditionally been a very daunting problem in supercomputing. Simulations of even modest systems (10s of atoms) can require many hours of computation time, even on parallel computers. This project seeks to address the problem not through mainstream distributed computing, but through per-node acceleration with application specific processors. The hypotheses is that general purpose processors, which seek to maximise average performance for a large range of applications, are ill-suited to the task of computing electron repulsion integrals, which are the bottleneck in such computations, and an application specific processor will be capable of relatively high performance in spite of latency and area costs associated with low-volume systems. The task at hand is to partition the application between software on the general host system and accelerator hardware, and subsequently to design the accelerator hardware.


About the speaker:


  
Visitors Information
A map of the Clayton Campus of Monash University indicates the venue, Building 72, and visitor parking on the top floor of the North carpark, Building 76.

Limited reserved parking spaces are available for visitors attending the seminar. (Requests for parking should be made in advance)