Material-Design Tools Taking On Quantum Monte Carlo Methods, Approximation of the Schrodinger Equation
A multi-institutional effort that includes researchers from Argonne, Lawrence Berkeley, and Oak Ridge National Laboratories is now underway to prepare QMCPACK for deployment on forthcoming, GPU-powered exascale machines, including the ALCF’s Aurora supercomputer. The greatly expanded computational power and parallelism of exascale will enable predictive capabilities far beyond the capacity of QMCPACK’s current implementation.
November 10, 2021
