Scalable Quantum Chemistry with GAMESS: Electron-correlation and Molecular Properties

Event Sponsor: 
Argonne Leadership Computing Facility Seminar
Start Date: 
Jan 27 2016 - 10:30am
Building/Room: 
Building 240/Room 4301
Location: 
Argonne National Laboratory
Speaker(s): 
Alexander D. Findlater
Speaker(s) Title: 
Iowa State University
Host: 
Graham D. Fletcher

In order to take full advantage of next generation DOE supercomputers, quantum chemistry software and methods must quickly adapt. Massively parallel algorithms that take advantage of modern hetero- and homogeneous supercomputing architectures will be essential. This talk will focus on promising scalable and massively parallel quantum chemistry methods being developed for the GAMESS quantum chemistry software package as well as some results obtained in collaboration with experimentalists.

Miscellaneous Information: 

Conference room is located on the fourth floor. Go to the right after you get off of the elevator. The room will be on your left side.

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