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20062026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 4.6k across the 11 of their papers we have counts for

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Showing 2019Show all

2 papers · 1 filter

cs.DC2019★ 2 cited

DBCSR: A Blocked Sparse Tensor Algebra Library

Ilia Sivkov, Patrick Seewald, Alfio Lazzaro +1

Advanced algorithms for large-scale electronic structure calculations are mostly based on processing multi-dimensional sparse data. Examples are sparse matrix-matrix multiplication…

cs.DC2019

DBCSR: A Library for Dense Matrix Multiplications on Distributed GPU-Accelerated Systems

Ilia Sivkov, Alfio Lazzaro, Juerg Hutter

Most, if not all the modern scientific simulation packages utilize matrix algebra operations. Among the operation of the linear algebra, one of the most important kernels is the mu…