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04/16/2021
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
We push the boundaries of electronic structure-based ab-initio molecular...
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08/26/2020
Optimising AI Training Deployments using Graph Compilers and Containers
Artificial Intelligence (AI) applications based on Deep Neural Networks ...
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10/29/2019
DBCSR: A Blocked Sparse Tensor Algebra Library
Advanced algorithms for large-scale electronic structure calculations ar...
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10/10/2019
DBCSR: A Library for Dense Matrix Multiplications on Distributed GPU-Accelerated Systems
Most, if not all the modern scientific simulation packages utilize matri...
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05/29/2017