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Atomistic simulation software CP2K enables AI models
The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the behavior of atoms and molecules. Among other applications, CP2K plays an ...
In this video from the GPU Technology Conference, Ole Schütt, Ph.D. Student at ETH Zürich presents: Accelerated Sparse Matrix Multiplication for Quantum Chemistry with CP2K on Hybrid Supercomputers.
It is very rare indeed to get benchmark data on HPC applications that shows it scaling over a representative number of nodes, and it is never possible to get cost allocations presented that allow for ...
CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview outlines its methods and scope. The CP2K package contains apps and algorithms ...
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