May 2024

Specialized hardware pipelines to accelerate molecular dynamics simulations in Anton 3 

Start Time: 15:00 End Time: 16:30

Co-organised by ExaBioSim, there will be a virtual industry talk, via Zoom, on Wednesday 29th May by Brannon Batson who is a hardware design engineer at D. E. Shaw Research.

Title:  Using specialized hardware pipelines to massively accelerate molecular dynamics simulations in Anton 3 

Abstract: At D. E. Shaw Research, we have designed and built multiple generations of highly successful special-purpose supercomputers for molecular dynamics simulations.  The newest generation, Anton 3, achieves simulation speeds at least 100-fold faster than any other currently available supercomputer on a wide range of biomolecular systems.  Anton machines are an essential foundational technology for our scientific and drug discovery efforts.  This talk will describe how we co-design hardware, software, and algorithms to accelerate both research and drug discovery, focusing on how specialized hardware pipelines contribute to the enormous speedups that Anton machines achieve.


This will be free, but is required to get the Zoom link. The registration link will be posted soon.