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Hohenstein Group – SLAC National Accelerator Laboratory

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New GPU-accelerated coupled-cluster singles and doubles implementation

June 29, 2020

We have implemented CCSD in TeraChem with GPU acceleration. With the latest GPU hardware, it is now possible to perform 1000 basis function CCSD computations in less than one day on a single computer. Read the paper here.

A New Equation-Of-Motion Coupled-Cluster Method →

Postdoc Positions Available

Contact Dr. Hohenstein for more details.

Applicants with experience programming electronic structure methods in C++ are encouraged to apply.


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