Electronic structure theory: Moving toward exascale performance

Event Sponsor: 
Argonne Leadership Computing Facility Seminar
Start Date: 
Mar 1 2019 - 10:30am
Building 240/Room 4301
Argonne National Laboratory
Kevin Gasperich
Speaker(s) Title: 
University of Pittsburgh
Katherine Riley

High accuracy electronic structure theory is key to predictive simulations of molecules and solids; unfortunately, the most accurate methods suffer from poor scaling, limiting the predictability to relatively small systems. In this talk, I will discuss two important strategies for bringing electronic structure theory into the exascale era: The use of controlled approximations to achieve lower scaling, and the implementation of new algorithms to expose additional parallelism for efficient use on modern HPC platforms.

Miscellaneous Information: 

This Seminar will be streamed. See details at https://anlpress.cels.anl.gov/cels-seminars/

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