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01/05/2022
Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms
High-performance computing, together with a neural network model trained...
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04/24/2020
86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy
We present the GPU version of DeePMD-kit, which, upon training a deep ne...
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11/27/2019
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks
The recently developed Deep Potential [Phys. Rev. Lett. 120, 143001, 201...
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04/09/2016