Aodong Liu

icon indicating a website link https://aodongliu.github.io icon indicating an email [email protected]

icon company University of Washington icon location Seattle icon location 4th Year Chemistry PhD student at University of Washington

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Implement NEO-DFT on host

NEO DFT PR is ready for review (in-house epc is used right now. API for libxc via exchcxx will come later). MPI tests are failing at the moment. However, if...