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physics.comp-ph2015
Sign learning kink-based (SiLK) quantum Monte Carlo for molecular systems
Xiaoyao Ma, Randall W. Hall, Frank Loffler +4
The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the HO, N, and F$…
physics.comp-ph2013
From Physics Model to Results: An Optimizing Framework for Cross-Architecture Code Generation
Marek Blazewicz, Ian Hinder, David M. Koppelman +6
Starting from a high-level problem description in terms of partial differential equations using abstract tensor notation, the Chemora framework discretizes, optimizes, and generate…