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Research article

First published 2014-8

Performance evaluation of ultra-large-scale first-principles electronic structure calculation code on the K computer

Yukihiro Hasegawa, Jun-Ichi Iwata, Miwako Tsuji [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2013-8

Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A

Chaofeng Hou, Ji Xu, Peng Wang [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2023-11

GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics

Maxim Zvyagin, Alexander Brace, Kyle Hippe [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2021-9

Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models

Sam Ade Jacobs, Tim Moon, Kevin McLoughlin [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2017-5

Designing a graphics processing unit accelerated petaflop capable lattice Boltzmann solver: Read aligned data layouts and asynchronous communication

Fredrik Robertsén, Jan Westerholm, Keijo Mattila

The International Journal of High Performance Computing Applications

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Research article

First published 2023-11

Running ahead of evolution—AI-based simulation for predicting future high-risk SARS-CoV-2 variants

Jie Chen, Zhiwei Nie, Yu Wang [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2015-2

Towards simulation of subcellular calcium dynamics at nanometre resolution

Jun Chai, Johan Hake, Nan Wu [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2019-9

TweTriS: Twenty trillion-atom simulation

Nikola Tchipev, Steffen Seckler, Matthias Heinen [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2019-3

Strong scaling for numerical weather prediction at petascale with the atmospheric model NUMA

Andreas Müller, Michal A Kopera, Simone Marras [...]

The International Journal of High Performance Computing Applications

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