New algorithm for tensor contractions on multi-core CPUs, GPUs, and accelerators enables CCSD and EOM-CCSD calculations with over 1000 basis functions on a single compute node

von Kaliman, Ilya A
Veröffentlicht in: Journal of computational chemistry (2017)

Hybrid MPI/OpenMP parallelization of the effective fragment potential method in the libefp software library

von Kaliman, Ilya A
Veröffentlicht in: Journal of computational chemistry (2015)

LIBEFP A new parallel implementation of the effective fragment potential method as a portable software library

von Kaliman, Ilya A
Veröffentlicht in: Journal of computational chemistry (2013)