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North American Catalysis Society

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LSU resources and facilities

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LSU HPC | LONI HPC

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Center for Advanced Microstructures and Devices (CAMD)

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Computation and simulation

VASP home page | VASP Wiki | VASP Notes | NSC at Linköping University

List of DFT codes

Atomic Simulation Environment

SUNCAT (CatMap, CatLearn)

John Kitchin: Modeling materials using density functional theory (e-Book)

Graeme Henkelman (U. Texas; TST) | Forum

Stefan Grimme (U. Bonn; DFT-D)

Hennig Materials Theory Lab (U. Florida; VASPsol, GASP)

Andrew Peterson (Brown U.; AMP)

Materials Design Group (Imperial College of London; MacroDensity)

Materials Project (U.C. Berkeley; PyMatGen)

Surface Explorer

Crystallography Open Database

Crystal Lattice Structures

NIST CCCBDB

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