86 citations · 255 across the 20 of their papers we have counts for
8 papers · 1 filter
A Data-Centric Approach to Extreme-Scale Ab initio Dissipative Quantum Transport Simulations
Alexandros Nikolaos Ziogas, Tal Ben-Nun, Guillermo Indalecio Fernández +3
The computational efficiency of a state of the art ab initio quantum transport (QT) solver, capable of revealing the coupled electro-thermal properties of atomically-resolved nano-…
Optimizing the Data Movement in Quantum Transport Simulations via Data-Centric Parallel Programming
Alexandros Nikolaos Ziogas, Tal Ben-Nun, Guillermo Indalecio Fernández +3
Designing efficient cooling systems for integrated circuits (ICs) relies on a deep understanding of the electro-thermal properties of transistors. To shed light on this issue in cu…
Electron transport through metal/MoS2 interfaces: edge- or area-dependent process?
Aron Szabo, Achint Jain, Markus Parzefall +2
In ultra-thin two-dimensional (2-D) materials, the formation of ohmic contacts with top metallic layers is a challenging task that involves different processes than in bulk-like st…
First-principles approach to electric polarization and dielectric constant calculations using generalized Wannier functions
Pawel Lenarczyk, Mathieu Luisier
We describe a method to calculate the electronic properties of an insulator under an applied electric field. It is based on the minimization of an electric enthalpy functional with…
COUNTDOWN Slack: a Run-time Library to Reduce Energy Footprint in Large-scale MPI Applications
Daniele Cesarini, Andrea Bartolini, Andrea Borghesi +3
The power consumption of supercomputers is a major challenge for system owners, users, and society. It limits the capacity of system installations, it requires large cooling infras…
Lithiation-delithiation cycles of amorphous Si nanowires investigated by molecular dynamics simulations
Julien Godet, Teute Bunjaku, Mathieu Luisier
The atomistic mechanisms during lithiation and delithiation of amorphous Si nanowires (-SiNW) have been investigated over cycles by molecular dynamics simulations. First, the Mo…