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20092021
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5.1k across the 8 of their papers we have counts for

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cs.DC2021

On the Parallel I/O Optimality of Linear Algebra Kernels: Near-Optimal Matrix Factorizations

Grzegorz Kwasniewski, Marko Kabić, Tal Ben-Nun +8

Matrix factorizations are among the most important building blocks of scientific computing. State-of-the-art libraries, however, are not communication-optimal, underutilizing curre…

cs.DC2021

COSTA: Communication-Optimal Shuffle and Transpose Algorithm with Process Relabeling

Marko Kabić, Simon Pintarelli, Anton Kozhevnikov +1

Communication-avoiding algorithms for Linear Algebra have become increasingly popular, in particular for distributed memory architectures. In practice, these algorithms assume that…