Efficient Parallel All-Electron Four-Component Dirac-Kohn Sham Program Using a Distributed Matrix Approach II
Loriano Storchi, Sergio Rampino, Leonardo Belpassi, Francesco Tarantelli, Harry M Quiney
Journal of Chemical Theory and Computation | AMER CHEMICAL SOC | Published : 2013
Awarded by FIRB-futuro-in-ricerca project
Awarded by Italian SuperComputing Resource Allocation (ISCRA)
This work was supported by grants from the Italian MIUR and the FIRB-futuro-in-ricerca project RBFR1022UQ. We thank the Italian SuperComputing Resource Allocation (ISCRA) through the project HP10BT1TD8 (BERTHA) for computational resources and Filippo De Angelis for enlightening discussions. L.S. would like to acknowledge IIT-SEED 2009 HELYOS and ESCORT project for financial support.