Seminars & Events

LCF Seminar - Jeongnim Kim, UIUC
"QMC, harnessing computing powers of today and beyond"

DATE: June 17, 2011 to June 17, 2011
TIME: 10:00 AM - 11:00 AM
SPEAKER: Jeongnim Kim, UIUC
LOCATION: Building 240 Conference Room 1406, Argonne National Laboratory
HOST: Nichols Romero

Description:
With advances in algorithms and growing computing powers, quantum Monte Carlo (QMC) methods have become a leading contender for high accuracy calculations for the electronic structure of realistic systems.

In this talk, I present recent development in QMC theories and numerical algorithms which have allowed us to reach the accuracy and system sizes at unprecedented time-to-solution. I discuss QMC implementations to overcome the important efficiency and scalability bottlenecks encountered with the HPC systems based on the multi/many-core architecture of today and present state-of-art QMC calculations of solid-state and molecular systems using tens or hundred thousand cores on the petascale computers.

Finally, I examine the readiness of QMC for the future HPC architectures to harness ever-increasing computing powers to tackle outstanding materials and chemical problems.

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