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Sascha Brück

dblp:169/1765 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 2015
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Systems, architecture and hardware · 1

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Computer architecture, parallel and distributed computing, and storage systems
1 paper
Emerging computing paradigms · 33% High-performance computing · 33% GPUs and heterogeneous computing · 33%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
High-performance computing › quantum chemistry
density functional theory		 0.212015
Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers · SC 2015
GPUs and heterogeneous computing
GPU computing		 0.212015
Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers · SC 2015
Emerging computing paradigms › quantum computing › quantum simulation
quantum transport simulation		 0.212015
Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers · SC 2015
YearPublicationVenuePosition
2015 Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers
abstract
The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly large nanostructures. Based on the Hamiltonian and overlap matrices generated by CP2K for a given system, OMEN solves the Schrödinger equation with open boundary conditions (OBCs) for all possible electron momenta and energies. To accelerate this core operation a robust algorithm called SplitSolve has been developed. It allows to simultaneously treat the OBCs on CPUs and the Schrödinger equation on GPUs, taking advantage of hybrid nodes. Our key achievements on the Cray-XK7 Titan are (i) a reduction in time-to-solution by more than one order of magnitude as compared to standard methods, enabling the simulation of structures with more than 50000 atoms, (ii) a parallel efficiency of 97% when scaling from 756 up to 18564 nodes, and (iii) a sustained performance of 15 DP-PFlop/s.
Mauro Calderara, Sascha Brück, Andreas Pedersen, Mohammad H. Bani-Hashemian, Joost VandeVondele, Mathieu Luisier
 SC2