Countdown Slack: A Run-Time Library to Reduce Energy Footprint in Large-Scale MPI Applications
Countdown Slack: A Run-Time Library to Reduce Energy Footprint in Large-Scale MPI Applications
D. Cesarini, A. Bartolini, A. Borghesi, C. Cavazzoni, M. Luisier and L. Benini
IEEE Transactions on Parallel and Distributed Systems, vol. 31, no. 11, pp. 2696-2709 (2020) 10.1109/TPDS.2020.3000418
Material systems for FM-/AFM-coupled skyrmions in Co/Pt-based multilayers
Material systems for FM-/AFM-coupled skyrmions in Co/Pt-based multilayers
H. Jia, B. Zimmermann, M. Hoffmann, M. Sallermann, G. Bihlmayer, and S. Blügel
Phys. Rev. Materials 4, 094407 (2020) 10.1103/PhysRevMaterials.4.094407
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows
M. Uhrin, S. P. Huber, J. Yu, N. Marzari, and G.Pizzi
Computational Materials Science 187, 110086 (2020) 10.1016/j.commatsci.2020.110086
Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations
Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations
M. Winkelmann, E. Di Napoli, D. Wortmann, and S. Blügel
Phys. Rev. B 102, 195138 (2020) 10.1103/PhysRevB.102.195138
Real-time modelling of Optical orientation in GaAs: generation and decay of the degree of spin polarization
Real-time modelling of Optical orientation in GaAs: generation and decay of the degree of spin polarization
M. D’Alessandro and D. Sangalli
Phys. Rev. B 102, 104437 (2020) 10.1103/PhysRevB.102.104437
Oxidation states, Thouless’ pumps, and anomalous transport in non-stoichiometric ionic conductors
Oxidation states, Thouless’ pumps, and anomalous transport in non-stoichiometric ionic conductors
P. Pegolo, F. Grasselli, and S. Baroni
Phys. Rev. X 10, 041031 (2020) 10.1103/PhysRevX.10.041031
Electrosorption at metal surfaces from first principles
Electrosorption at metal surfaces from first principles
N. G. Hörmann, N. Marzari, and K. Reuter
npj Computational Materials 6, 136 (2020) 10.1038/s41524-020-00394-4
Real-space multiple scattering theory for superconductors with impurities
Real-space multiple scattering theory for superconductors with impurities
T. G. Saunderson, Z. Győrgypál, J. F. Annett, G. Csire, B. Újfalussy, and M. Gradhand
Physical Review B 102, 245106 (2020) 10.1103/PhysRevB.102.245106
Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method
Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method
O. Motornyi, N. Vast, I. Timrov, O. Baseggio, S. Baroni, and A. Dal Corso
Physical Review B 102, 035156 (2020) 10.1103/PhysRevB.102.035156
Unit cell restricted Bloch functions basis for first-principle transport models: Theory and application
Unit cell restricted Bloch functions basis for first-principle transport models: Theory and application
M. G. Pala, P. Giannozzi, and D. Esseni
Phys. Rev. B 102, 045410 (2020) 10.1103/PhysRevB.102.045410