Pregled bibliografske jedinice broj: 1253725
SPARQS - Scalable Parallel Quantum-Transport Solver for 2D Material Nanodevices with ab-initio Hamiltonians
SPARQS - Scalable Parallel Quantum-Transport Solver for 2D Material Nanodevices with ab-initio Hamiltonians, 2022. (računalni programski paket).
CROSBI ID: 1253725 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
SPARQS - Scalable Parallel Quantum-Transport Solver for 2D Material Nanodevices with ab-initio Hamiltonians
Autori
Poljak, Mirko ; Matić, Mislav ; Župančić, Tin
Vrsta, podvrsta
Ostale vrste radova, računalni programski paket
Godina
2022
Ključne riječi
NEGF, quantum transport, 2D material, C, parallel, OpenMP, BLAS, LAPACK, MPI, cluster, distributed memory, DFT, wannierization, MLWF, ab initio, first-principles
Sažetak
NEGF solver for wannierized (MLWF) Hamiltonians obtained from ab initio DFT calculations. Recursive Green's function algorithm. Implemented in C++ for parallel execution on high-performance multi-core workstations and computational clusters (MPI, OpenMP with numerical libraries BLAS and LAPACK).
Izvorni jezik
Engleski
Znanstvena područja
Elektrotehnika, Računarstvo
POVEZANOST RADA
Projekti:
HRZZ-UIP-2019-04-3493 - Računalno projektiranje nanotranzistora temeljenih na novim 2D materijalima (CONAN2D) (Poljak, Mirko, HRZZ ) ( CroRIS)
Ustanove:
Fakultet elektrotehnike i računarstva, Zagreb
