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System Software and Performance Engineering

Designing the software infrastructure for the world’s most powerful computers

Argonne’s Mathematics and Computer Science Division is researching new approaches to system software and performance analysis and modeling.  MCS has a longstanding operating systems research team, in addition to developing software with an emphasis on scalability, adaptation for novel hardware, and robustness.  MCS is also researching new fault tolerance methods, performance monitoring and auto-tuning,  and innovative programming models for next-generation computing systems. 

Accelerating DFT simulation for Li20 cluster: The chemistry researchers successfully explored the impact of the cluster geometries on the calculated polarizabilities for Lithium clusters by using the Density Functional Theory (DFT) simulation provided in the NWChem application suite. In comparison w